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13373392
 
#1

Haloacid dehalogenase HAD-EFI: M22
American Custom Chemicals Corp.: CCH0000399
Element Store BB: b2star-113170-55-1
Sigma Aldrich (Building Blocks): A8960|SIGMA
Vesino Industrial Co Ltd: VC31017...16 total

ref: mol2, SDF, SMILES, flexibase
-4.59,-3.5,-11.32,2,9,0, 254.087, 4
ref: mol2, SDF, SMILES, flexibase
-1.93,-6.93,-238.98,3,9,-3, 253.079, 4
mid: mol2, SDF, SMILES, flexibase
-1.93,-8.07,-117.79,4,9,-2, 254.087, 4
mid: mol2, SDF, SMILES, flexibase
-1.93,-7.94,-129.07,4,9,-2, 254.087, 4
lo: mol2, SDF, SMILES, flexibase
-4.59,-5.16,-49.16,3,9,0, 255.095, 4
lo: mol2, SDF, SMILES, flexibase
-2.07,-5.2,-122.22,3,9,-2, 254.087, 4
lo: mol2, SDF, SMILES, flexibase
-4.59,-4.65,-54.63,3,9,0, 255.095, 4
lo: mol2, SDF, SMILES, flexibase
-2.07,-5.17,-119.28,3,9,-2, 254.087, 4
lo: mol2, SDF, SMILES, flexibase
-1.93,-9.09,-42.31,5,9,-1, 255.095, 4

Similar to: 33968836, 33968837, 34003047, 34039829, 34039830, ... 7 in total.
13526357
 
#2

Haloacid dehalogenase HAD-EFI: M21
Biocyc via PubChem: AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP
ChEBI: CHEBI:16629, CHEBI:57841
E. coli Metabolome Database: ECMDB20046
KEGG via PubChem: C04752...9 total

69484899
 
#3

Haloacid dehalogenase HAD-EFI: M16
ref: mol2, SDF, SMILES, flexibase
-3.14,-8.21,-289.08,5,14,-4, 387.19, 7
mid: mol2, SDF, SMILES, flexibase
-3.14,-9.36,-172.85,6,14,-3, 388.198, 7
lo: mol2, SDF, SMILES, flexibase
-3.14,-11.3,-105.64,7,14,-2, 389.206, 7
69484895
 
#4

Haloacid dehalogenase HAD-EFI: M15
ref: mol2, SDF, SMILES, flexibase
-4.31,-7.81,-226.44,5,12,-3, 345.173, 6
mid: mol2, SDF, SMILES, flexibase
-4.31,-8.9,-111.83,6,12,-2, 346.181, 6
69484893
 
#5

Haloacid dehalogenase HAD-EFI: M14
ref: mol2, SDF, SMILES, flexibase
-4.67,-5.81,-328.72,4,14,-4, 394.118, 7
mid: mol2, SDF, SMILES, flexibase
-4.67,-6.96,-198.2,5,14,-3, 395.126, 7
13436129
 
#6

Haloacid dehalogenase HAD-EFI: 40651385
ChemDB: 6916821
PubChem: 3370098
ref: mol2, SDF, SMILES, flexibase
-3.94,-5.67,-214,4,11,-3, 315.147, 5
mid: mol2, SDF, SMILES, flexibase
-3.94,-6.83,-107.13,5,11,-2, 316.155, 5
19850691
 
#7

Enolase via KEGG (EFI): C05682_1
Haloacid dehalogenase HAD-EFI: 19850691
Alfa-Aesar: A12117
Sigma Aldrich (Building Blocks): 284270|ALDRICH
Acros Organics (Depleted): 25829...20 total

ref: mol2, SDF, SMILES, flexibase
-1.70,-0.64,-115.99,1,5,-2, 138.015, 2
mid: mol2, SDF, SMILES, flexibase
-1.70,0.47,-223.24,0,5,-3, 137.007, 2
12494630
 
#8

Haloacid dehalogenase HAD-EFI: 12494625
Isoprenoid synthase IS-EFI: FPP
American Custom Chemicals Corp.: NEW0069783
Indofine: 68-1520
Sigma Aldrich (Building Blocks): F6892|SIGMA...15 total


Similar to: 12495043, 13507240, 16343230, 16343477, 24973143, ... 11 in total.
12501438
 
#9

Haloacid dehalogenase HAD-EFI: 8215517
AK Scientific: M204
APIChem: AC-13726
BioSynth: W-109485
Combi-Blocks: QB-9985...40 total


Similar to: 31976723, 33676159, 36470935,
69484888
 
#10

Haloacid dehalogenase HAD-EFI: M08
SureChEMBL: SCHEMBL9695793, SCHEMBL9126614
ref: mol2, SDF, SMILES, flexibase
-2.28,-4.39,-134.27,2,6,-2, 156.03, 3
mid: mol2, SDF, SMILES, flexibase
-2.28,-5.54,-45.67,3,6,-1, 157.038, 3
69484886
 
#11

Haloacid dehalogenase HAD-EFI: M08
SureChEMBL: SCHEMBL9695793, SCHEMBL9126614
ref: mol2, SDF, SMILES, flexibase
-2.28,-4.39,-134.2,2,6,-2, 156.03, 3
mid: mol2, SDF, SMILES, flexibase
-2.28,-5.53,-45.66,3,6,-1, 157.038, 3
24492326
 
#12

Haloacid dehalogenase HAD-EFI: M07, 3869936
BOC Sciences BB: 102783-56-2
Element Store BB: b2star-591-59-3
Sigma Aldrich (Building Blocks): G5251|SIGMA, 69312|SIGMA, 37442|SIGMA, D7137|SIGMA, 51269|SIGMA
Tetrahedron Building Blocks: TS12748...76 total

ref: mol2, SDF, SMILES, flexibase
-1.77,-3.12,-135.84,2,6,-2, 168.041, 3
ref: mol2, SDF, SMILES, flexibase
-2.45,-1.03,-138.28,1,6,-2, 168.041, 4
ref: mol2, SDF, SMILES, flexibase
-1.81,-1.29,-130.45,1,6,-2, 168.041, 4
mid: mol2, SDF, SMILES, flexibase
-2.45,-2.18,-49.22,2,6,-1, 169.049, 4
mid: mol2, SDF, SMILES, flexibase
-1.81,-2.56,-53.6,2,6,-1, 169.049, 4
mid: mol2, SDF, SMILES, flexibase
-1.77,-4.27,-46.69,3,6,-1, 169.049, 3

Similar to: 39038847, 39038848, 1529674,
64622150
 
#13

Haloacid dehalogenase HAD-EFI: 12405084
AK Scientific: Z6061
APIChem: AC-8227
Ark Pharm Building Blocks: AK113760
BePharm Building Blocks: B134704...28 total

13542446
 
#14

Haloacid dehalogenase HAD-EFI: 8215530
AK Scientific: Z6048
American Custom Chemicals Corp.: NUC0000799, NUC0000860
APIChem: AC-8223
Ark Pharm Building Blocks: AK113759...12 total


Similar to: 34025710, 34025711, 34025713,
12494960
 
#15

Amidohydrolase AH-EFI: Guanosinediphosphate
Haloacid dehalogenase HAD-EFI: 8215481
Molport: MolPort-020-004-657
AK Scientific: Z6067
Apexmol Building Blocks: AM83925...46 total


Similar to: 31308647, 31308651, 34358557, 34541308, 35000839, ... 11 in total.
12402867
 
#16

Haloacid dehalogenase HAD-EFI: 12402869
Acros Organics: 22625
BioSynth: W-105537, W-202497
Chembo Pharma: KB-52318
Sigma Aldrich (Building Blocks): V900868|VETEC...33 total


Similar to: 12402869, 39958534, 39958535, 39958536, 39958537, ... 9 in total.
12402868
 
#17

Haloacid dehalogenase HAD-EFI: 12402869
BindingDB.org: 81874, 50192447
Biocyc via PubChem: GTP
Bovine Metabolome: BMDB01273
ChEBI: CHEBI:37565...24 total

ref: mol2, SDF, SMILES, flexibase
-4.22,-7.52,-185.64,6,19,-3, 520.157, 8

Similar to: 12402869, 39958534, 39958535, 39958536, 39958537, ... 9 in total.
60094177
 
#18

Haloacid dehalogenase HAD-EFI: 12402869
Acros Organics: 22625
BioSynth: W-202497, W-105537
Chembo Pharma: KB-52318
Sigma Aldrich (Building Blocks): G3776|SIGMA...34 total

ref: mol2, SDF, SMILES, flexibase
-4.22,-7.52,-180.6,6,19,-3, 520.157, 8
mid: mol2, SDF, SMILES, flexibase
-4.53,-4.25,-237.08,6,19,-3, 520.157, 8
62088812
 
#19

Amidohydrolase AH-EFI: Cytosinediphosphate
Haloacid dehalogenase HAD-EFI: 12495268
AK Scientific: Z6060
American Custom Chemicals Corp.: NUC0002390
Ark Pharm Building Blocks: AK115810...45 total

19850116
 
#20

Amidohydrolase AH-EFI: Cytosinetriphosphate
Haloacid dehalogenase HAD-EFI: 19850119
Molport: MolPort-023-220-175
Acros Organics: 22622
AK Scientific: Z6049...57 total


Similar to: 19850119, 34326453, 34588553, 34588555, 59338767, ... 10 in total.
12405083
 
#21

Amidohydrolase AH-EFI: Cytosinetriphosphate
Haloacid dehalogenase HAD-EFI: 19850119
Molport: MolPort-023-220-175
Acros Organics: 22622
AK Scientific: Z6049...55 total


Similar to: 13431057, 13431059, 13431061, 13431062, 13519252, ... 14 in total.
3861746
 
#22

Amidohydrolase AH-EFI: Cytosinetriphosphate
Haloacid dehalogenase HAD-EFI: 19850119
Molport: MolPort-023-220-175
Acros Organics: 22622
AK Scientific: 0036AC...57 total


Similar to: 31489831, 33814572, 33814573, 33814574, 33814575, ... 9 in total.
12495036
 
#23

Haloacid dehalogenase HAD-EFI: 8215882
Ark Pharm Building Blocks: AK112194
BePharm Building Blocks: B154047
BioSynth: W-204131
Sigma Aldrich (Building Blocks): 89282|SIGMA...23 total


Similar to: 31543186, 31543191, 31543195, 31543200, 33979243, ... 10 in total.
12495069
 
#24

Haloacid dehalogenase HAD-EFI: 12495073
Ark Pharm Building Blocks: AK164214, AK126529
BioSynth: W-201653
FineTech: FT-0610911
Ryan Scientific: 107-58404...32 total


Similar to: 12495073, 13516860, 13519459, 31476432, 31476441, ... 21 in total.
8215959
 
#25

Haloacid dehalogenase HAD-EFI: 12495073
Ark Pharm Building Blocks: AK164214, AK126529
BioSynth: W-201653
FineTech: FT-0610911
Ryan Scientific: 107-58404...32 total


Similar to: 12495073, 13516860, 13519459, 31476432, 31476441, ... 21 in total.
25725477
 
#26

Haloacid dehalogenase HAD-EFI: 12495073
Ark Pharm Building Blocks: AK126529
BioSynth: W-201653
FineTech: FT-0610911
Sequoia Research Products: 18423-43-3...28 total


Similar to: 31476432, 31476441, 31476446, 33953872, ... 4 in total.
60291355
 
#27

Haloacid dehalogenase HAD-EFI: 12493522
Molport: MolPort-020-003-811
AK Scientific: V1660, Z6031
BioSynth: W-201900, W-107093
Combi-Blocks: SS-0107...52 total

56870784
 
#28

Haloacid dehalogenase HAD-EFI: 49872132
Acros Organics: 22631
AK Scientific: Z6035
APIChem: AC-8222
Ark Pharm Building Blocks: AK-54736...58 total

12405087
 
#29

Haloacid dehalogenase HAD-EFI: 49872132
TCM Database @ Taiwan: 47824
Acros Organics: 22631
AK Scientific: Z6035
APIChem: AC-8222...60 total

67267160
 
#30

Amidohydrolase AH-EFI: Adenosinediphosphate
Haloacid dehalogenase HAD-EFI: 12360703
Molport: MolPort-020-004-587
Acros Organics: 16467
AK Scientific: H356...94 total

hi: mol2, SDF, SMILES, flexibase
3.79,9.28,-36.43,1,2,1, 233.379, 3
4261765
 
#31

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: H717...107 total

12402864
 
#32

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: X5319...119 total

12402865
 
#33

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...120 total

69484880
 
#34

Haloacid dehalogenase HAD-EFI: 4228300
ref: mol2, SDF, SMILES, flexibase
-4.95,-16.62,-152.01,8,15,-2, 436.259, 6
mid: mol2, SDF, SMILES, flexibase
-4.95,-17.77,-56.26,9,15,-1, 437.267, 6
69484878
 
#35

Haloacid dehalogenase HAD-EFI: 4097444
ref: mol2, SDF, SMILES, flexibase
-3.95,-11.3,-130.49,5,10,-2, 288.145, 4
mid: mol2, SDF, SMILES, flexibase
-3.95,-12.44,-43.56,6,10,-1, 289.153, 4
69484875
 
#36

Haloacid dehalogenase HAD-EFI: 4097443
ref: mol2, SDF, SMILES, flexibase
-3.95,-11.02,-130.77,5,10,-2, 288.145, 4
mid: mol2, SDF, SMILES, flexibase
-3.95,-12.17,-44.1,6,10,-1, 289.153, 4
69484872
 
#37

Haloacid dehalogenase HAD-EFI: M04
Biocyc via PubChem: CPD-12334
PubChem: 46173245
ref: mol2, SDF, SMILES, flexibase
-4.48,-9.4,-350.32,4,13,-4, 366.108, 6
mid: mol2, SDF, SMILES, flexibase
-4.48,-10.56,-221.63,5,13,-3, 367.116, 6
lo: mol2, SDF, SMILES, flexibase
-4.48,-11.71,-112.28,6,13,-2, 368.124, 6

Similar to: 34966584, 34966585, 34966586, 34966587, ... 4 in total.
13543597
 
#38

Haloacid dehalogenase HAD-EFI: M02
KEGG via PubChem: C03693
KEGG-C via PubChem: C03693
PubChem: 3036654
ref: mol2, SDF, SMILES, flexibase
-3.98,-7.38,-357.52,3,12,-4, 336.082, 5
mid: mol2, SDF, SMILES, flexibase
-3.98,-8.53,-219.24,4,12,-3, 337.09, 5
lo: mol2, SDF, SMILES, flexibase
-3.98,-9.68,-111.57,5,12,-2, 338.098, 5

Similar to: 44608395, 44608396, 12502698, 12502700, 12502701, ... 6 in total.
1532692
 
#39

Haloacid dehalogenase HAD-EFI: 1532692
Molport: MolPort-023-220-424
BioSynth: Q-201575
Capot Chemical: 11582
Combi-Blocks: QA-2652...141 total

ref: mol2, SDF, SMILES, flexibase
-3.93,2.3,-113.35,0,5,-1, 182.136, 4

Similar to: 5859614, 31476619,
3869231
 
#40

DiPeptides (Hao): Phosphoglycerate-2S
Enolase EN-EFI: Phosphoglycerate-2S, 2-phosphoglycerate-S
Enolase via KEGG (EFI): C00631_2
Haloacid dehalogenase HAD-EFI: 3869232
Phosphate sugars (EFI): 2-phosphoglycerate-S-2...33 total

ref: mol2, SDF, SMILES, flexibase
-2.38,-1.39,-227.43,1,7,-3, 183.032, 4
mid: mol2, SDF, SMILES, flexibase
-2.38,-2.53,-113.57,2,7,-2, 184.04, 4

Similar to: 5829605, 5830202, 3652349, 3652350, ... 4 in total.
24629762
 
#41

eMolecules: 886785
Haloacid dehalogenase HAD-EFI: 8101109
Alfa-Aesar: B24784
KeyOrganics Bioactives: HS-0008
MicroSource Pharmakon: 01502019...100 total

ref: mol2, SDF, SMILES, flexibase
-1.71,-2.5,-120.9,1,5,-2, 123.988, 1

Similar to: 8101109,
4095991
 
#42

Haloacid dehalogenase HAD-EFI: M25
Biocyc via PubChem: CPD-1244
ChEBI: CHEBI:57478, CHEBI:15703
E. coli Metabolome Database: ECMDB20171
KEGG via PubChem: C02995...10 total

ref: mol2, SDF, SMILES, flexibase
-4.21,-19.11,-146.75,7,14,-2, 420.26, 6

Similar to: 4096697, 4096698,
4096452
 
#43

Haloacid dehalogenase HAD-EFI: M24
Biocyc via PubChem: CPD-507
ChEBI: CHEBI:17888, CHEBI:58312, CHEBI:2233
E. coli Metabolome Database: ECMDB20267
KEGG via PubChem: C04534...13 total

ref: mol2, SDF, SMILES, flexibase
-4.21,-18.58,-147.82,7,14,-2, 420.26, 6

Similar to: 4096697, 4096698,
13522693
 
#44

Haloacid dehalogenase HAD-EFI: M23
ChEBI: CHEBI:17969, CHEBI:58335
Human Metabolome Database: HMDB60274
Individual Suppliers: UNNAMED00000145, UNNAMED00000329
KEGG via PubChem: C00447...12 total

ref: mol2, SDF, SMILES, flexibase
-4.82,-6.89,-305.67,4,13,-4, 366.108, 10
mid: mol2, SDF, SMILES, flexibase
-4.82,-8.05,-198.31,5,13,-3, 367.116, 10
lo: mol2, SDF, SMILES, flexibase
-4.82,-9.21,-99.52,6,13,-2, 368.124, 10

Similar to: 8551170, 8551171, 8551172, 8551173, ... 4 in total.
3811320
 
#45

ChemMol: 44005988, 30107524
Enolase via KEGG (EFI): C02305_1
Haloacid dehalogenase HAD-EFI: 3811320
TCM Database @ Taiwan: tcm03_001701
Acros Organics: 33734...90 total

ref: mol2, SDF, SMILES, flexibase
-3.16,-1.64,-123.1,3,8,-2, 209.098, 5
4097101
 
#46

Haloacid dehalogenase HAD-EFI: 4097100
BioSynth: W-200657
Chembo Pharma: KB-57532
J&K Chemical: A01295202
Biocyc via PubChem: N-ACETYL-D-GLUCOSAMINE-6-P...22 total

ref: mol2, SDF, SMILES, flexibase
-3.75,-9.99,-142.09,4,10,-2, 299.172, 4

Similar to: 12504055, 12504056, 30725927, 33753319, 33753320, ... 14 in total.
4097100
 
#47

Haloacid dehalogenase HAD-EFI: 4097100
BioSynth: W-200657
Chembo Pharma: KB-57532
J&K Chemical: A01295202
Biocyc via PubChem: N-ACETYL-D-GLUCOSAMINE-6-P...23 total

ref: mol2, SDF, SMILES, flexibase
-3.75,-10.22,-137.87,4,10,-2, 299.172, 4

Similar to: 4097101, 12504055, 12504056, 30725927, 33753319, ... 14 in total.
4096361
 
#48

Haloacid dehalogenase HAD-EFI: 4096361
BioSynth: W-202540
Chembo Pharma: KB-57530
Tetrahedron Building Blocks: TS61757
Biocyc via PubChem: N-ACETYL-D-GLUCOSAMINE-1-P...28 total

ref: mol2, SDF, SMILES, flexibase
-3.75,-10.63,-151.53,4,10,-2, 299.172, 4

Similar to: 4096362, 4096427, 6186566, 12496902, 35791067, ... 8 in total.
1530092
 
#49

Enolase via KEGG (EFI): C05945_2
Haloacid dehalogenase HAD-EFI: 1530092
American Custom Chemicals Corp.: AAA0000659
Ark Pharm Building Blocks: AK142567
Toronto Research Chemicals: P354000...18 total

ref: mol2, SDF, SMILES, flexibase
-3.38,-6.71,-120.99,7,9,-1, 253.175, 8
1532839
 
#50

Haloacid dehalogenase HAD-EFI: 1532839
Element Store BB: b2star-273724-21-3
Labotest: LT00847627, LT03329117
Labotest Building Blocks: LT00847627
Sigma Aldrich (Building Blocks): T8637|SIGMA...80 total

ref: mol2, SDF, SMILES, flexibase
-4.11,4.51,-121.31,2,8,-1, 343.325, 6
mid: mol2, SDF, SMILES, flexibase
-4.11,3.36,-49.82,3,8,0, 344.333, 6
lo: mol2, SDF, SMILES, flexibase
-4.11,3.81,-98.96,4,8,1, 345.341, 6

Similar to: 36470935, 39240009,
4228295
 
#51

Haloacid dehalogenase HAD-EFI: 4228295
Ark Pharm Building Blocks: AK151174
Bide Pharmatech BB: BD123921
Tetrahedron Building Blocks: TS79613
Biocyc via PubChem: CPD-535...28 total

ref: mol2, SDF, SMILES, flexibase
-3.37,-6.99,-324.8,3,12,-4, 336.082, 6
mid: mol2, SDF, SMILES, flexibase
-3.37,-8.15,-209.63,4,12,-3, 337.09, 6
lo: mol2, SDF, SMILES, flexibase
-3.37,-9.05,-117.34,5,12,-2, 338.098, 6

Similar to: 6293252, 6293259, 6293279, 6293287, ... 6 in total.
1532514
 
#52

eMolecules: 1988700
Haloacid dehalogenase HAD-EFI: 1532514
Acros Organics: 22817
AK Scientific: X6777, N728
Alfa-Aesar: A12323...131 total

ref: mol2, SDF, SMILES, flexibase
-0.76,0.89,-129.43,1,7,-2, 245.127, 4
mid: mol2, SDF, SMILES, flexibase
-0.76,-0.27,-42.2,2,7,-1, 246.135, 4
hi: mol2, SDF, SMILES, flexibase
-0.76,1.89,-195.99,0,7,-3, 244.119, 4

Similar to: 6520374, 31976982,
8219605
 
#53

Haloacid dehalogenase HAD-EFI: M21
Biocyc via PubChem: AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP
ChEBI: CHEBI:57841, CHEBI:16629
ChemDB: 6917076
E. coli Metabolome Database: ECMDB20046...13 total

ref: mol2, SDF, SMILES, flexibase
-2.65,0.5,-237.42,2,10,-3, 296.092, 5
mid: mol2, SDF, SMILES, flexibase
-2.65,0.94,-204.53,3,10,-2, 297.1, 5
lo: mol2, SDF, SMILES, flexibase
-2.65,-0.22,-103.45,4,10,-1, 298.108, 5
1530031
 
#54

Haloacid dehalogenase HAD-EFI: M20
Biocyc via PubChem: 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P
ChEBI: CHEBI:18150, CHEBI:58394
ChemDB: 6917013
E. coli Metabolome Database: ECMDB20039...18 total

ref: mol2, SDF, SMILES, flexibase
0.08,-6.81,-196.58,3,10,-3, 285.121, 8

Similar to: 1529165, 1529167,
3870145
 
#55

DiPeptides (Hao): Phosphoenolpyruvate
Enolase EN-EFI: Phosphoenolpyruvate
Haloacid dehalogenase HAD-EFI: 3870145
Molport: MolPort-002-520-866, MolPort-003-805-590
AK Scientific: 1199AA...146 total

ref: mol2, SDF, SMILES, flexibase
-0.80,1.7,-214.18,0,6,-3, 165.017, 3
mid: mol2, SDF, SMILES, flexibase
-0.80,0.53,-102.67,1,6,-2, 166.025, 3

Similar to: 34335276, 3646576,
49538598
 
#56

Enolase via KEGG (EFI): C05672_2
Haloacid dehalogenase HAD-EFI: 3873028
BOC Sciences BB: 128241-72-5
Element Store BB: b2star-23052-80-4
IBScreen Bioactives: Bio-0618...50 total

ref: mol2, SDF, SMILES, flexibase
-4.26,-2.26,-49.62,4,6,-1, 168.065, 3
49538597
 
#57

Enolase via KEGG (EFI): C05672_1
Haloacid dehalogenase HAD-EFI: 3873028
Element Store BB: b2star-23052-80-4
IBScreen Bioactives: Bio-0618
Molport BB: MolPort-001-759-594...51 total

ref: mol2, SDF, SMILES, flexibase
-4.26,-2.32,-49.76,4,6,-1, 168.065, 3
3872713
 
#58

eMolecules: 498956
Enolase via KEGG (EFI): C01705_1
Haloacid dehalogenase HAD-EFI: 3872713
Molport: MolPort-001-793-049
AK Scientific: H167...247 total

ref: mol2, SDF, SMILES, flexibase
-2.84,-0.07,-110.02,2,6,-2, 167.057, 4
lo: mol2, SDF, SMILES, flexibase
-2.84,-1.18,-47.65,3,6,-1, 168.065, 4

Similar to: 34534705,
12494625
 
#59

Haloacid dehalogenase HAD-EFI: 12494625
Isoprenoid synthase IS-EFI: FPP
American Custom Chemicals Corp.: NEW0069783
Indofine: 68-1520
Isoprenoids: FPP003DAS...60 total

ref: mol2, SDF, SMILES, flexibase
3.37,9.67,-242.08,0,7,-3, 379.306, 11
mid: mol2, SDF, SMILES, flexibase
3.37,8.53,-122.03,1,7,-2, 380.314, 11

Similar to: 12494630, 12495043, 12495048, 13507240, 16343230, ... 17 in total.
2556391
 
#60

Haloacid dehalogenase HAD-EFI: M13
Indofine: 68-1510
Biocyc via PubChem: CPD-12587
ChemDB: 7639368
KEGG via PubChem: C20121...11 total

ref: mol2, SDF, SMILES, flexibase
4.38,2.51,-134.92,0,4,-2, 300.335, 9
8215517
 
#61

ChemMol: 30103299
Haloacid dehalogenase HAD-EFI: 8215517
AK Scientific: M204
APIChem: AC-13726
BioSynth: W-109485...82 total

ref: mol2, SDF, SMILES, flexibase
-4.75,4.38,-217.61,2,11,-2, 422.296, 8
mid: mol2, SDF, SMILES, flexibase
-4.75,3.22,-112.63,3,11,-1, 423.304, 8
lo: mol2, SDF, SMILES, flexibase
-4.75,3.67,-154.1,4,11,0, 424.312, 8

Similar to: 12501438, 33676159, 36470935,
1529638
 
#62

Haloacid dehalogenase HAD-EFI: 1529638
Scientific Exchange (make on demand): F-446348
Acros Organics: 22799, 12886
AK Scientific: L770, 5301AE, X6650, Z2901
Aldrich CPR: S234494|ALDRICH...177 total

ref: mol2, SDF, SMILES, flexibase
0.67,4.09,-121.92,0,7,-2, 217.073, 3

Similar to: 5785202, 39340145,
62592078
 
#63

Haloacid dehalogenase HAD-EFI: M09
Biocyc via PubChem: CPD-10735
PubChem: 44123575
ref: mol2, SDF, SMILES, flexibase
-4.31,-9.75,-206.29,5,12,-3, 345.173, 6
mid: mol2, SDF, SMILES, flexibase
-4.31,-10.91,-100.95,6,12,-2, 346.181, 6
3831425
 
#64

Haloacid dehalogenase HAD-EFI: 3831425
Molport: MolPort-016-582-614
TCM Database @ Taiwan: tcm03_003094
AK Scientific: S188, X2938
Alfa-Aesar: A14545...113 total

ref: mol2, SDF, SMILES, flexibase
-1.43,-10.48,-149.68,4,13,-2, 454.332, 7

Similar to: 8551105, 8551106, 8551107, 8551108, 33754142, ... 7 in total.
2391325
 
#65

Haloacid dehalogenase HAD-EFI: 2391325
Ark Pharm Building Blocks: AK149793
ChemDB: 4164515
PubChem: 67119526, 70277006, 21635862, 15953026, 69650408, 68121980, 21442708, 18423991, 69506222, 70574642, 2784427
SureChEMBL: SCHEMBL6059750...25 total

ref: mol2, SDF, SMILES, flexibase
0.61,3.8,-137.26,0,4,-2, 186.103, 3

Similar to: 5064308, 5064312, 5432276, 17106108, ... 6 in total.
3870166
 
#66

Haloacid dehalogenase HAD-EFI: 3870166
Acros Organics: 36742
Anward: ANW-43177
FineTech: FT-0611244
Fluorochem: 010650...75 total

ref: mol2, SDF, SMILES, flexibase
-2.18,-3.36,-116.8,3,5,-1, 140.055, 3

Similar to: 1529860,
3869936
 
#67

Haloacid dehalogenase HAD-EFI: 3869936
Element Store BB: b2star-591-59-3
Sigma Aldrich (Building Blocks): G5251|SIGMA, 39705|SIGMA
Tetrahedron Building Blocks: TS12748
BindingDB.org: 50420199...53 total

ref: mol2, SDF, SMILES, flexibase
-1.81,-1.91,-130.51,1,6,-2, 168.041, 4

Similar to: 39038847, 39038848,
3869735
 
#68

Enolase via KEGG (EFI): C00988_1
Haloacid dehalogenase HAD-EFI: 3869735
Alfa Chemistry (Depleted): ACM13147574
Biocyc via PubChem: CPD-67
Bovine Metabolome: BMDB00816...44 total

ref: mol2, SDF, SMILES, flexibase
-1.74,1.01,-211.98,0,6,-3, 153.006, 3
mid: mol2, SDF, SMILES, flexibase
-1.74,-0.14,-102.96,1,6,-2, 154.014, 3
3830897
 
#69

eMolecules: 45919903
Haloacid dehalogenase HAD-EFI: 3830897
Molport: MolPort-023-311-438, MolPort-003-935-375, MolPort-016-582-427
Acros Organics: 41099
AK Scientific: V1400...121 total

ref: mol2, SDF, SMILES, flexibase
-2.26,-3.31,-137.8,2,6,-2, 170.057, 4
mid: mol2, SDF, SMILES, flexibase
-2.26,-4.46,-46.79,3,6,-1, 171.065, 4

Similar to: 34596550, 34596551,
3869934
 
#70

Enolase EN-EFI: 3-phosphoglycerate-R
Enolase via KEGG (EFI): C00197_1
Haloacid dehalogenase HAD-EFI: 3869934
Phosphate sugars (EFI): 3-phosphoglycerate-R-2
Labotest: LT03328997...68 total

ref: mol2, SDF, SMILES, flexibase
-2.38,-0.86,-203.04,1,7,-3, 183.032, 4
mid: mol2, SDF, SMILES, flexibase
-2.38,-2.02,-98.17,2,7,-2, 184.04, 4

Similar to: 4096089, 33774066, 33774067, 33774068, ... 4 in total.
3869379
 
#71

Haloacid dehalogenase HAD-EFI: 3869379
Element Store BB: b2star-94249-01-1
Labotest: LT03328255
Sigma Aldrich (Building Blocks): A0262|SIGMA, 01409|SIGMA
Tetrahedron Building Blocks: TS15216...75 total

ref: mol2, SDF, SMILES, flexibase
-0.90,1.39,-136.92,0,5,-2, 138.015, 2

Similar to: 5166276, 34339082,
13551955
 
#72

Haloacid dehalogenase HAD-EFI: 13551955
ChEMBL12: CHEMBL1230504
Protein Databank: 6MN
PubChem: 11637467, 44246482
ref: mol2, SDF, SMILES, flexibase
-4.02,-8.89,-148.3,6,9,-1, 258.143, 3

Similar to: 4102410, 4102411,
4096363
 
#73

Haloacid dehalogenase HAD-EFI: 4096363
J&K Chemical: A01295202
Biocyc via PubChem: N-ACETYL-D-MANNOSAMINE-6P
Bovine Metabolome: BMDB01121
ChEBI: CHEBI:62165...18 total

ref: mol2, SDF, SMILES, flexibase
-3.75,-10.03,-133.85,4,10,-2, 299.172, 4

Similar to: 4096385, 4097100, 4097101, 12504055, 12504056, ... 14 in total.
4097103
 
#74

Haloacid dehalogenase HAD-EFI: 4097103
American Custom Chemicals Corp.: CRB0002053
BioSynth: W-203574
Tetrahedron Building Blocks: TS34285
Toronto Research Chemicals: G515050...31 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-11.32,-156.43,6,9,-1, 258.143, 3

Similar to: 4102410, 4102411, 4102413, 12502415, 12502417, ... 21 in total.
4097102
 
#75

Haloacid dehalogenase HAD-EFI: 4097103
American Custom Chemicals Corp.: CRB0002053
BioSynth: W-203574
Tetrahedron Building Blocks: TS34285
Toronto Research Chemicals: G515050...17 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-11.61,-155.99,6,9,-1, 258.143, 3

Similar to: 4097103, 12502415, 12502417, 12502419, 13532336, ... 13 in total.
4228242
 
#76

ChemMol: 30114357
eMolecules: 4796930
Haloacid dehalogenase HAD-EFI: 4228242
Molport: MolPort-002-515-303, MolPort-023-221-379
Acros Organics: 22626...149 total

ref: mol2, SDF, SMILES, flexibase
-2.49,-2.22,-152.4,3,12,-2, 346.192, 4
mid: mol2, SDF, SMILES, flexibase
-2.49,-3.38,-61.47,4,12,-1, 347.2, 4

Similar to: 4353761, 13526981, 13531931, 13531934, 14951277, ... 22 in total.
12405084
 
#77

ChemMol: 30113525
Haloacid dehalogenase HAD-EFI: 12405084
AK Scientific: Z6061
APIChem: AC-8227
Ark Pharm Building Blocks: AK113760...42 total

ref: mol2, SDF, SMILES, flexibase
-3.49,-2.36,-259.56,3,15,-3, 425.163, 6
mid: mol2, SDF, SMILES, flexibase
-3.49,-3.51,-139.61,4,15,-2, 426.171, 6
hi: mol2, SDF, SMILES, flexibase
-3.04,-4.43,-320.42,2,15,-4, 424.155, 6

Similar to: 12496131, 12496134, 12958387, 12958393, 12958396, ... 14 in total.
8215530
 
#78

ChemMol: 30113529
Haloacid dehalogenase HAD-EFI: 8215530
AK Scientific: Z6048
American Custom Chemicals Corp.: NUC0000860, NUC0000799
APIChem: AC-8223...42 total

ref: mol2, SDF, SMILES, flexibase
-4.41,-2.5,-375.84,3,18,-4, 504.134, 8
mid: mol2, SDF, SMILES, flexibase
-4.41,-3.65,-238.58,4,18,-3, 505.142, 8
hi: mol2, SDF, SMILES, flexibase
-4.04,-4.58,-444.89,2,18,-5, 503.126, 8

Similar to: 12958335, 12958340, 12958345, 34060135, 35000844, ... 11 in total.
1730395
 
#79

eMolecules: 26437376
Haloacid dehalogenase HAD-EFI: 1730395
Molport: MolPort-020-003-879, MolPort-005-911-059
Acros Organics: 22634
American Custom Chemicals Corp.: CCH0008487...68 total

ref: mol2, SDF, SMILES, flexibase
-2.73,-8.62,-148.97,4,12,-2, 345.208, 4

Similar to: 3869846, 3869847, 3869848, 4095873, 12296728, ... 14 in total.
2159505
 
#80

Amidohydrolase AH-EFI: Guanosinemonophospha
eMolecules: 49241895
Haloacid dehalogenase HAD-EFI: 2159505
Molport: MolPort-023-221-375
Acros Organics: 22660...155 total

ref: mol2, SDF, SMILES, flexibase
-2.68,-10.63,-149.09,5,13,-2, 361.207, 4

Similar to: 3073318, 3869963, 3869964, 8613169, 8613170, ... 19 in total.
8215481
 
#81

Amidohydrolase AH-EFI: Guanosinediphosphate
ChemMol: 30113524
Haloacid dehalogenase HAD-EFI: 8215481
Molport: MolPort-020-004-657
AK Scientific: Z6067...76 total

ref: mol2, SDF, SMILES, flexibase
-3.69,-2.95,-258.12,5,16,-3, 440.178, 6
mid: mol2, SDF, SMILES, flexibase
-3.69,-4.11,-138.12,6,16,-2, 441.186, 6

Similar to: 12494960, 12504288, 12504289, 12504290, 31308647, ... 18 in total.
12402869
 
#82

Haloacid dehalogenase HAD-EFI: 12402869
Acros Organics: 22625
BioSynth: W-105537, W-202497
Chembo Pharma: KB-52318
Sigma Aldrich (Building Blocks): G3776|SIGMA...60 total

ref: mol2, SDF, SMILES, flexibase
-4.53,-3.1,-374.45,5,19,-4, 519.149, 8
mid: mol2, SDF, SMILES, flexibase
-4.53,-4.25,-237.21,6,19,-3, 520.157, 8

Similar to: 39958534, 39958535, 39958536, 39958537, 49766701, ... 10 in total.
3861759
 
#83

Amidohydrolase AH-EFI: 2?-deoxy-5?-cytidine
ChemMol: 44003088, 30103154
Haloacid dehalogenase HAD-EFI: 3861759
APIChem: AC-13563
Ark Pharm Building Blocks: AK-54711...64 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-3.15,-165.43,3,10,-2, 305.183, 4

Similar to: 6091570, 12503923, 12503924, 38427201, ... 6 in total.
3861744
 
#84

Amidohydrolase AH-EFI: Cytosinemonophosphat
ChemMol: 30103036
eMolecules: 49241894, 713433
Haloacid dehalogenase HAD-EFI: 3861744
Acros Organics: 44949...128 total

ref: mol2, SDF, SMILES, flexibase
-2.60,-5.1,-162.46,4,11,-2, 321.182, 4

Similar to: 8952080, 9007749, 15604154, 16546001, 31490608, ... 10 in total.
12495268
 
#85

Amidohydrolase AH-EFI: Cytosinediphosphate
Haloacid dehalogenase HAD-EFI: 12495268
AK Scientific: Z6060
American Custom Chemicals Corp.: NUC0002390
Ark Pharm Building Blocks: AK163635...82 total

ref: mol2, SDF, SMILES, flexibase
-3.60,-5.11,-269.37,4,14,-3, 400.153, 6
mid: mol2, SDF, SMILES, flexibase
-3.60,-6.26,-148.29,5,14,-2, 401.161, 6

Similar to: 31976695, 33724629, 33724630, 33724631, 33724632, ... 18 in total.
19850119
 
#86

Amidohydrolase AH-EFI: Cytosinetriphosphate
ChemMol: 30113527, 44015027
Haloacid dehalogenase HAD-EFI: 19850119
Molport: MolPort-023-220-175
Acros Organics: 22622...96 total

ref: mol2, SDF, SMILES, flexibase
-4.48,-5.25,-384.8,4,17,-4, 479.124, 8
mid: mol2, SDF, SMILES, flexibase
-4.48,-6.4,-247.88,5,17,-3, 480.132, 8

Similar to: 34326453, 34588553, 34588555, 38472601, 38473697, ... 17 in total.
1678872
 
#87

Haloacid dehalogenase HAD-EFI: 1678872
Ark Pharm Building Blocks: AK-41640
Bide Pharmatech BB: BD266244
BioSynth: T-3835
Bosche Scientific: T6182...272 total

ref: mol2, SDF, SMILES, flexibase
-2.10,-5.78,-152.67,2,10,-2, 320.194, 4

Similar to: 6090960, 6380668, 6523446, 31976901, 31997371, ... 12 in total.
8215882
 
#88

Haloacid dehalogenase HAD-EFI: 8215882
Ark Pharm Building Blocks: AK112194
BePharm Building Blocks: B154047
BioSynth: W-204131
Sigma Aldrich (Building Blocks): 89282|SIGMA...34 total

ref: mol2, SDF, SMILES, flexibase
-3.11,-1.89,-257.91,2,13,-3, 399.165, 6
mid: mol2, SDF, SMILES, flexibase
-3.11,-3.04,-138.51,3,13,-2, 400.173, 6

Similar to: 12495036, 12503049, 12503051, 12503053, 31543186, ... 14 in total.
12495073
 
#89

Haloacid dehalogenase HAD-EFI: 12495073
Ark Pharm Building Blocks: AK164214, AK126529
BioSynth: W-201653
FineTech: FT-0610911
Ryan Scientific: 107-58404...50 total

ref: mol2, SDF, SMILES, flexibase
-4.11,-2.03,-372.7,2,16,-4, 478.136, 8
mid: mol2, SDF, SMILES, flexibase
-4.11,-3.19,-236.93,3,16,-3, 479.144, 8

Similar to: 12502101, 12502103, 12502105, 13516860, 13519459, ... 27 in total.
4228260
 
#90

Haloacid dehalogenase HAD-EFI: 4228260
Molport: MolPort-020-004-722
AK Scientific: V5883
BioSynth: W-202728
Combi-Blocks: SS-9451...45 total

ref: mol2, SDF, SMILES, flexibase
-2.80,-6.63,-140.03,2,10,-2, 306.167, 4

Similar to: 5833080, 5833102, 5833111, 6524723, 13514393, ... 11 in total.
2123545
 
#91

eMolecules: 31661134
Haloacid dehalogenase HAD-EFI: 2123545
Acros Organics: 22629
AK Scientific: U490
Alfa-Aesar: A18601...101 total

ref: mol2, SDF, SMILES, flexibase
-2.76,-4.32,-149.57,3,11,-2, 322.166, 4
mid: mol2, SDF, SMILES, flexibase
-2.76,-5.47,-57.56,4,11,-1, 323.174, 4

Similar to: 4097119, 9235501, 12503831, 12503832, 12503833, ... 10 in total.
12493522
 
#92

Haloacid dehalogenase HAD-EFI: 12493522
Molport: MolPort-020-003-811
AK Scientific: Z6031, V1660
BioSynth: W-201900, W-107093
Combi-Blocks: SS-0107...94 total

ref: mol2, SDF, SMILES, flexibase
-3.76,-4.45,-255.15,3,14,-3, 401.137, 6

Similar to: 12503607, 12503609, 12503611, 12503613, 13704148, ... 12 in total.
19796107
 
#93

ChemMol: 30113530
Haloacid dehalogenase HAD-EFI: 49872132
Acros Organics: 22631
AK Scientific: Z6035
APIChem: AC-8222...89 total

ref: mol2, SDF, SMILES, flexibase
-4.57,-4.59,-370.18,3,17,-4, 480.108, 8
mid: mol2, SDF, SMILES, flexibase
-4.57,-5.75,-234.35,4,17,-3, 481.116, 8

Similar to: 42887869, 12959005, 12959011, 12959016, 16969360, ... 8 in total.
1713574
 
#94

ChemMol: 44022372
Haloacid dehalogenase HAD-EFI: 1713574
AK Scientific: X5237, K063
American Custom Chemicals Corp.: CCH0008486
Ark Pharm Building Blocks: AK-54710...80 total

ref: mol2, SDF, SMILES, flexibase
-1.56,-0.28,-139.73,3,11,-2, 329.209, 4
mid: mol2, SDF, SMILES, flexibase
-1.56,-1.44,-49,4,11,-1, 330.217, 4

Similar to: 3869813, 3869814, 3869815, 4095693, 12958401, ... 19 in total.
1631259
 
#95

Haloacid dehalogenase HAD-EFI: 1631259
American Custom Chemicals Corp.: CCH0006778
IBScreen NP (Depleted): STOCK1N-53657
Molport BB: MolPort-003-939-291
Sequoia Research Products: 84-21-9...49 total

ref: mol2, SDF, SMILES, flexibase
-2.48,-3.07,-136.25,4,12,-2, 345.208, 4
lo: mol2, SDF, SMILES, flexibase
-2.48,-2.72,-130.37,5,12,-1, 346.216, 4
lo: mol2, SDF, SMILES, flexibase
-2.48,-7.18,-134.89,5,12,-1, 346.216, 4

Similar to: 4514065, 4514067, 4514071, 4514075, 12958381, ... 7 in total.
3860156
 
#96

Amidohydrolase AH-EFI: Adenosinemonophospha
ChemMol: 30107494, 30102074, 44005966
eMolecules: 49241723, 43047588, 29370212
Haloacid dehalogenase HAD-EFI: 3860156
Molport: MolPort-003-925-190...425 total

ref: mol2, SDF, SMILES, flexibase
-1.52,-2.18,-140.94,4,12,-2, 345.208, 4
mid: mol2, SDF, SMILES, flexibase
-1.52,-3.34,-50.9,5,12,-1, 346.216, 4

Similar to: 3977897, 4806442, 31519907, 33790129, 33790130, ... 10 in total.
12360703
 
#97

Amidohydrolase AH-EFI: Adenosinediphosphate
Haloacid dehalogenase HAD-EFI: 12360703
Molport: MolPort-020-004-587
Acros Organics: 16467
AK Scientific: 5446AB...166 total

ref: mol2, SDF, SMILES, flexibase
-2.53,-2.31,-247.83,4,15,-3, 424.179, 6
mid: mol2, SDF, SMILES, flexibase
-2.53,-3.47,-128.33,5,15,-2, 425.187, 6
hi: mol2, SDF, SMILES, flexibase
3.79,9.28,-36.48,1,2,1, 233.379, 3

Similar to: 12503595, 12503597, 12503599, 12503601, 38250763, ... 10 in total.
18456332
 
#98

Amidohydrolase AH-EFI: Adenosinetriphosphat
Haloacid dehalogenase HAD-EFI: 18456332
Molport: MolPort-020-004-552
Acros Organics: 10280
AK Scientific: L924...249 total

ref: mol2, SDF, SMILES, flexibase
-3.54,-2.46,-364.46,4,18,-4, 503.15, 8
ref: mol2, SDF, SMILES, flexibase
-3.54,-3.61,-227.01,5,18,-3, 504.158, 8
mid: mol2, SDF, SMILES, flexibase
-3.54,-3.61,-227.24,5,18,-3, 504.158, 8

Similar to: 25762745, 25762748, 40164335,
1530464
 
#99

Enolase via KEGG (EFI): C06501_2
Haloacid dehalogenase HAD-EFI: 1530464
AK Scientific: X5205, Y0543
American Custom Chemicals Corp.: AAA0000658
Anward: ANW-24592...67 total

ref: mol2, SDF, SMILES, flexibase
-2.46,-2.48,-163.68,3,7,-2, 259.154, 5

Similar to: 5273617, 6091876, 6091877, 33821485, 34329248, ... 5 in total.
3869280
 
#100

Enolase via KEGG (EFI): C01005_2
Haloacid dehalogenase HAD-EFI: 3869280
Molport: MolPort-003-909-633
Scientific Exchange (make on demand): M-982071
Anward: ANW-43666...100 total

ref: mol2, SDF, SMILES, flexibase
-4.29,-1.1,-142.53,3,7,-2, 183.056, 4
lo: mol2, SDF, SMILES, flexibase
-4.29,-2.27,-64.66,4,7,-1, 184.064, 4

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 487 ) limit 0,100

Smiles were