UCSF banner
Search Results
Initial search took 0 second(s).
Beginning : #1 Hits: 100 Display:   per page=

Download: Show Detail?
Done
ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

Click for quick 3D display
78940291
 
#1

BindingDB.org: 82418
IUPHAR Database: 1578
lo: mol2, SDF, SMILES, flexibase
-5.13,3.52,-318.78,19,15,4, 749.995, 24
lo: mol2, SDF, SMILES, flexibase
-5.13,3.33,-456.85,20,15,5, 751.003, 24
30320649
 
#2

MedChem Express: HY-F0001
Sigma Aldrich (Building Blocks): N6005|SIGMA, N1161|SIGMA, N8129|SIGMA
Toronto Research Chemicals: N201480
Biocyc via PubChem: NADH
BMRB via PubChem: bmse000054...24 total

lo: mol2, SDF, SMILES, flexibase
-5.46,-7.7,-144.18,8,21,-1, 664.438, 11
78939548
 
#3

HMDB Endogenous: HMDB04249
Human Metabolome Database: HMDB04249
IUPHAR Database: 2353
12495069
 
#4

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
 
#5

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
 
#6

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.
38423091
 
#7

IUPHAR Database: 5495
PubChem: 10248056
SureChEMBL: SCHEMBL6703349
ref: mol2, SDF, SMILES, flexibase
5.08,15.72,-34.43,2,3,0, 361.57, 17
hi: mol2, SDF, SMILES, flexibase
5.08,14.48,-42.77,1,3,-1, 360.562, 17

Similar to: 60141366, 60294056, 60294061,
78938996
 
#8

IUPHAR Database: 5493
PubChem: 54331769, 11515787
SureChEMBL: SCHEMBL168746
ref: mol2, SDF, SMILES, flexibase
4.94,15.21,-35.3,2,3,0, 347.543, 17
hi: mol2, SDF, SMILES, flexibase
4.94,13.86,-42.7,1,3,-1, 346.535, 17
78938991
 
#9

IUPHAR Database: 5470
PubChem: 66677115, 46835834
SureChEMBL: SCHEMBL402913, SCHEMBL402914
ref: mol2, SDF, SMILES, flexibase
3.41,5.83,-7.34,2,2,0, 233.355, 2
78938975
 
#10

IUPHAR Database: 5461
PubChem: 67932540
SureChEMBL: SCHEMBL350372, SCHEMBL9809348
ref: mol2, SDF, SMILES, flexibase
3.07,7.4,-10.05,1,3,0, 332.484, 1
5167126
 
#11

BindingDB.org: 50388483
ChEMBL19: CHEMBL2057977
IUPHAR Database: 5461
PubChem: 101789
SureChEMBL: SCHEMBL350372...7 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.42,-10.06,1,3,0, 332.484, 1

Similar to: 3830196, 3830197, 3830198, 3830199, 3850224, ... 9 in total.
78938965
 
#12

IUPHAR Database: 5456
ref: mol2, SDF, SMILES, flexibase
3.67,4.72,-11.47,4,5,0, 395.584, 14
78938954
 
#13

IUPHAR Database: 5455
ref: mol2, SDF, SMILES, flexibase
5.41,9.54,-17.09,2,8,0, 555.691, 13
78938948
 
#14

IUPHAR Database: 5440
ref: mol2, SDF, SMILES, flexibase
-2.53,17.5,-89.92,0,8,2, 576.782, 14
78938937
 
#15

IUPHAR Database: 5439
PubChem: 11504244, 60138185
ref: mol2, SDF, SMILES, flexibase
-3.95,15.32,-91.39,0,8,2, 498.668, 14
78938929
 
#16

IUPHAR Database: 5438
ref: mol2, SDF, SMILES, flexibase
7.64,17.22,-99.4,4,7,2, 670.983, 19
hi: mol2, SDF, SMILES, flexibase
7.64,14.86,-42.94,3,7,1, 669.975, 19
lo: mol2, SDF, SMILES, flexibase
7.64,19.51,-171.35,5,7,3, 671.991, 19
78938922
 
#17

IUPHAR Database: 5436
SureChEMBL: SCHEMBL1934130
ref: mol2, SDF, SMILES, flexibase
2.85,8.77,-66.13,1,4,-1, 278.287, 3
17654893
 
#18

Cayman Chemical: 60924
Sigma Aldrich (Building Blocks): A6850|SIGMA
ChEMBL12: CHEMBL1488739
ChEMBL19: CHEMBL1488739
IUPHAR Database: 5428...5 total

78938914
 
#19

ChEBI: CHEBI:61817
IUPHAR Database: 5427
ref: mol2, SDF, SMILES, flexibase
4.25,25.24,-103.9,0,11,-1, 664.838, 34
lo: mol2, SDF, SMILES, flexibase
4.25,23.26,-64.09,1,11,0, 665.846, 34
78938911
 
#20

IUPHAR Database: 5420
ref: mol2, SDF, SMILES, flexibase
-0.20,3.82,-41.17,3,6,1, 255.294, 6
mid: mol2, SDF, SMILES, flexibase
0.26,2.31,-44.56,2,6,0, 254.286, 6
78938900
 
#21

IUPHAR Database: 5420
ref: mol2, SDF, SMILES, flexibase
-0.20,3.82,-41.15,3,6,1, 255.294, 6
mid: mol2, SDF, SMILES, flexibase
0.26,2.31,-44.52,2,6,0, 254.286, 6
13801167
 
#22

BindingDB.org: 50081577
ChEMBL12: CHEMBL334583
ChEMBL12 10uM: CHEMBL334583
ChEMBL19: CHEMBL334583
IUPHAR Database: 5328...6 total

ref: mol2, SDF, SMILES, flexibase
-2.98,-0.87,-44.59,3,6,0, 172.14, 1
mid: mol2, SDF, SMILES, flexibase
-2.98,-2.26,-47.34,2,6,-1, 171.132, 1
mid: mol2, SDF, SMILES, flexibase
-2.79,-3.21,-36.46,3,6,0, 172.14, 1
78938888
 
#23

IUPHAR Database: 5302
PubChem: 644196
ref: mol2, SDF, SMILES, flexibase
2.69,5.97,-23.5,5,13,0, 630.67, 18
78938880
 
#24

IUPHAR Database: 5302
PubChem: 44134608
ref: mol2, SDF, SMILES, flexibase
2.69,5.97,-23.89,5,13,0, 630.67, 18
12496124
 
#25

Tractus: TRA0160000
W&J PharmaChem: 204398
Bovine Metabolome: BMDB03334
ChemDB: 6913782
DrugBank-experimental: DB02302...19 total

ref: mol2, SDF, SMILES, flexibase
-3.01,1.87,-71.75,6,6,1, 203.266, 7
ref: mol2, SDF, SMILES, flexibase
-3.01,1.83,-71.06,6,6,1, 203.266, 7
hi: mol2, SDF, SMILES, flexibase
-3.01,2.15,-51.22,5,6,0, 202.258, 7
hi: mol2, SDF, SMILES, flexibase
-3.01,1.54,-51.21,5,6,0, 202.258, 7

Similar to: 6452004,
18086647
 
#26

AK Scientific: 7109AA
Anward: ANW-62028
Ark Pharm Building Blocks: AK128738
BePharm Building Blocks: B234084
Chembo Pharma: KB-209175...33 total

ref: mol2, SDF, SMILES, flexibase
-0.72,2.86,-76.33,9,6,2, 232.291, 3
ref: mol2, SDF, SMILES, flexibase
-0.72,2.83,-76.26,9,6,2, 232.291, 3

Similar to: 6095104,
78938858
 
#27

IUPHAR Database: 5261
78938850
 
#28

IUPHAR Database: 5261
22309435
 
#29

IUPHAR Database: 5261
78938839
 
#30

IUPHAR Database: 5261
78938836
 
#31

IUPHAR Database: 5241
ref: mol2, SDF, SMILES, flexibase
2.75,6.97,-10.13,2,3,0, 265.312, 2
31830150
 
#32

eMolecules: 1035009
Cayman Chemical: 10009317
ChemDiv: 3254-2341
Tractus: TRA0050692
IBM Patent Data: 136196280...7 total

ref: mol2, SDF, SMILES, flexibase
3.22,7.95,-46.2,3,6,1, 393.511, 8
mid: mol2, SDF, SMILES, flexibase
3.22,8.09,-47.93,3,6,1, 393.511, 8
hi: mol2, SDF, SMILES, flexibase
3.22,5.71,-15.8,2,6,0, 392.503, 8

Similar to: 22916765, 19826473,
31393730
 
#33

IUPHAR Database: 5232
PubChem: 124009, 124010
ref: mol2, SDF, SMILES, flexibase
3.82,10.73,-11.93,2,8,0, 508.652, 8
16343242
 
#34

Enolase via KEGG (EFI): C05933_1
Element Store BB: b2star-53598-01-9
Bovine Metabolome: BMDB04224
ChEBI: CHEBI:47825, CHEBI:47826, CHEBI:7101
Food Database: FDB023337...15 total

ref: mol2, SDF, SMILES, flexibase
-3.70,-0.69,-76.52,8,7,1, 191.211, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-1.05,-46.42,6,7,-1, 189.195, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-0.97,-54,7,7,0, 190.203, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-1.03,-46.66,6,7,-1, 189.195, 6
13558688
 
#35

Enolase via KEGG (EFI): C05933_2
Element Store BB: b2star-53598-01-9
Toronto Research Chemicals: H943750
BindingDB.org: 50230418
Bovine Metabolome: BMDB04224...27 total

ref: mol2, SDF, SMILES, flexibase
-3.70,-0.68,-42.66,7,7,0, 190.203, 6
ref: mol2, SDF, SMILES, flexibase
-3.70,-0.68,-76.02,8,7,1, 191.211, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-1.03,-59.23,7,7,0, 190.203, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-1,-43.06,6,7,-1, 189.195, 6
hi: mol2, SDF, SMILES, flexibase
-3.70,-0.98,-43.66,6,7,-1, 189.195, 6
78938795
 
#36

IUPHAR Database: 5218
ref: mol2, SDF, SMILES, flexibase
6.53,15.05,-7.96,0,3,0, 386.488, 17
78938786
 
#37

IUPHAR Database: 5218
PubChem: 53442591
ref: mol2, SDF, SMILES, flexibase
6.53,15.05,-7.94,0,3,0, 386.488, 17
13543608
 
#38

Alfa Chemistry (Depleted): ACM70050430
Biocyc via PubChem: CPD-10901
ChemDB: 7613425
IUPHAR Database: 5189
Leadscope via PubChem: LS-78884...13 total

ref: mol2, SDF, SMILES, flexibase
-2.62,2.71,-33.16,4,5,0, 187.174, 4
mid: mol2, SDF, SMILES, flexibase
-2.62,1.9,-40,4,5,0, 187.174, 4
mid: mol2, SDF, SMILES, flexibase
-2.62,2.41,-83.66,5,5,1, 188.182, 4
mid: mol2, SDF, SMILES, flexibase
-2.62,2.14,-55.14,4,5,0, 187.174, 4
mid: mol2, SDF, SMILES, flexibase
-2.62,1.63,-43.35,3,5,-1, 186.166, 4
hi: mol2, SDF, SMILES, flexibase
-2.62,2.18,-47.95,3,5,-1, 186.166, 4
lo: mol2, SDF, SMILES, flexibase
-2.62,2.41,-83.99,5,5,1, 188.182, 4
53022902
 
#39

eMolecules: 29550700
Molport: MolPort-003-940-991
AK Scientific: H211, K100, V2191
Amadis Chemical: A845532
APIChem: AC-388...63 total

52971887
 
#40

eMolecules: 29550700
Molport: MolPort-003-940-991
AK Scientific: V2191, H211, K100
Amadis Chemical: A845532
APIChem: AC-388...70 total

596596
 
#41

Capot Chemical: 20011
Chembo Pharma: KB-74858
Molport BB: MolPort-003-983-828
Toronto Research Chemicals: B119000
Tractus: TRA0061593...19 total

ref: mol2, SDF, SMILES, flexibase
3.45,10.07,-18.34,2,8,0, 476.577, 10
ref: mol2, SDF, SMILES, flexibase
3.45,9.32,-29.24,2,8,0, 476.577, 10
mid: mol2, SDF, SMILES, flexibase
3.45,-1.26,-41.3,3,8,1, 477.585, 10
hi: mol2, SDF, SMILES, flexibase
3.91,9.05,-49.58,1,8,-1, 475.569, 10

Similar to: 6142754, 6142755, 6142758, 6142759, 6142762, ... 19 in total.
31260155
 
#42

Tractus: TRA0040378
IUPHAR Database: 5102
PubChem: 2733515, 6338615, 7067501, 44328897, 1433
ref: mol2, SDF, SMILES, flexibase
0.58,2.01,-90.27,6,3,2, 179.267, 3
hi: mol2, SDF, SMILES, flexibase
0.58,1.6,-32.4,5,3,1, 178.259, 3
14806651
 
#43

Bachem: F-3685
Cayman Chemical: 10006861
ChEMBL12: CHEMBL443279
ChEMBL19: CHEMBL443279
IUPHAR Database: 5091...12 total

ref: mol2, SDF, SMILES, flexibase
-3.98,-1.51,-45.42,7,7,0, 176.176, 5
hi: mol2, SDF, SMILES, flexibase
-3.98,-1.8,-49.58,7,7,0, 176.176, 5
hi: mol2, SDF, SMILES, flexibase
-3.98,-1.78,-41.83,6,7,-1, 175.168, 5
hi: mol2, SDF, SMILES, flexibase
-3.98,-1.77,-43.41,6,7,-1, 175.168, 5

Similar to: 5828263,
78938736
 
#44

IUPHAR Database: 5052
PubChem: 69920060
SureChEMBL: SCHEMBL6860600
ref: mol2, SDF, SMILES, flexibase
2.81,13.58,-36.91,4,7,1, 447.559, 8
78938728
 
#45

IUPHAR Database: 5052
PubChem: 69920060
SureChEMBL: SCHEMBL6860600
ref: mol2, SDF, SMILES, flexibase
2.81,13.7,-38.56,4,7,1, 447.559, 8
13816309
 
#46

Active BioPharma: 1016
Ark Pharm Building Blocks: AK122861
Molport BB: MolPort-021-783-064
Sigma Aldrich (Building Blocks): P0113|SIGMA
Zylexa Pharma BB: ZP-BB-AL004851...9 total

ref: mol2, SDF, SMILES, flexibase
4.66,6.69,-29.47,3,5,1, 342.806, 2
mid: mol2, SDF, SMILES, flexibase
4.48,7.18,-28.99,3,5,1, 342.806, 3
mid: mol2, SDF, SMILES, flexibase
4.48,6.8,-12.43,2,5,0, 341.798, 3
34633957
 
#47

BindingDB.org: 50313604
ChEMBL12: CHEMBL1077291
ChEMBL12 10uM: CHEMBL1077291
ChEMBL19: CHEMBL1077291
Collaborative Drug Discovery: 1407289...9 total

ref: mol2, SDF, SMILES, flexibase
2.46,3.87,-10.16,3,5,0, 295.273, 0

Similar to: 36473561, 36473654, 36473659, 36473774, 36473775, ... 27 in total.
53226529
 
#48

Enolase via KEGG (EFI): C12766_5
Aldrich CPR: PH005076|ALDRICH
American Custom Chemicals Corp.: API0009112
BindingDB.org: 50350474, 50169174
ChEBI: CHEBI:31444...29 total

4214738
 
#49

AK Scientific: X4863, 4265AB, 1800AB
Angene Building Blocks: AGN-PC-0W778F, AGN-PC-0SCGVY
Apexmol Building Blocks: AM84912
APIChem: AC-19717
Ark Pharm Building Blocks: AK-75883...105 total

36520252
 
#50

Molport: MolPort-027-720-828
AK Scientific: X5927
Ark Pharm Building Blocks: AK160980
Chembo Pharma: KB-76792
Molport BB: MolPort-027-720-828...25 total

ref: mol2, SDF, SMILES, flexibase
2.32,-0.57,-11.74,4,7,0, 450.915, 6

Similar to: 38279961, 40425417, 43103695, 49070294, 49070722, ... 9 in total.
78938707
 
#51

IUPHAR Database: 4738
ref: mol2, SDF, SMILES, flexibase
-0.37,-8.37,-19.17,8,14,0, 580.539, 6
hi: mol2, SDF, SMILES, flexibase
-0.37,-7.37,-65.84,7,14,-1, 579.531, 6
18141652
 
#52

ChemMol: 83601609
DiPeptides (Hao): Uronic-R-S-R-R, Uronic-R-S-S-S, Uronic-S-S-R-R, Uronic-S-S-S-S, Uronic-S-R-R_eno, Uronic-R-R-R-S, Uronic-R-S-R-S, Uronic-S-R-R-S, Uronic-S-S-R-S, Uronic-R-R-R_eno, Uronic-S-S-R_eno, Uronic-R-R-S-R, Uronic-R-S-S-R, Uronic-S-R-S-R, Uronic-S-S-S-R, Uronic-R-S-S_eno, Uronic-S-S-S_eno
Enolase EN-EFI: Uronic-S-S-R-S, Uronic-R-R-R_eno, Uronic-S-S-R_eno, Uronic-R-R-S-R, Uronic-R-S-S-R, Uronic-S-R-S-R, Uronic-S-S-S-R, Uronic-R-S-S_eno, Uronic-S-S-S_eno, Uronic-R-S-R-R, Uronic-R-S-S-S, Uronic-S-S-R-R, Uronic-S-S-S-S, Uronic-S-R-R_eno, Uronic-R-R-R-S, Uronic-R-S-R-S, Uronic-S-R-R-S
Enolase via KEGG (EFI): C01062_1, C01062_4, C01062_7, C13085_7, C13085_4, C13085_8, C13085_15, C01062_2, C01062_5, C01062_8, C13085_9, C13085_5, C13085_10, C13085_16, C01062_3, C01062_6, C13085_3, C13085_11, C13085_6, C13085_12
TCM Database @ Taiwan: 28639...308 total

ref: mol2, SDF, SMILES, flexibase
-2.77,-5.54,-49.93,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-2.77,-5.47,-49.2,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-2.77,-4.49,-49.62,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-2.77,-4.25,-49.05,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-3.62,-5.15,-49.42,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-3.62,-3.91,-49.72,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-3.62,-4.67,-49.08,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-3.62,-4.42,-49.36,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-2.77,-4.03,-49.09,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-3.62,-3.89,-49.42,4,7,-1, 193.131, 5
ref: mol2, SDF, SMILES, flexibase
-2.77,-5.54,-49.93,4,7,-1, 193.131, 5
hi: mol2, SDF, SMILES, flexibase
-3.62,-4.4,-105.39,3,7,-2, 192.123, 5
hi: mol2, SDF, SMILES, flexibase
-3.62,-3.16,-105.36,3,7,-2, 192.123, 5
hi: mol2, SDF, SMILES, flexibase
-3.62,-3.67,-105.32,3,7,-2, 192.123, 5
hi: mol2, SDF, SMILES, flexibase
-3.62,-3.14,-105.49,3,7,-2, 192.123, 5
hi: mol2, SDF, SMILES, flexibase
-3.62,-3.92,-104.64,3,7,-2, 192.123, 5

Similar to: 33751627, 33751628, 33751629,
18164733
 
#53

eMolecules: 538519
Alfa-Aesar: A16789
Anward: ANW-43422
Apollo Scientific Bioactives: BI3933
Ark Pharm Building Blocks: AK-25654...98 total

ref: mol2, SDF, SMILES, flexibase
-1.64,-6.46,-8.59,4,5,0, 164.157, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-5.34,-54.76,3,5,-1, 163.149, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-5.37,-54.67,3,5,-1, 163.149, 4
hi: mol2, SDF, SMILES, flexibase
-2.49,-3.81,-54.55,3,5,-1, 163.149, 4

Similar to: 33902628, 34348819, 34348820, 34348821, ... 6 in total.
8552145
 
#54

AK Scientific: K606, X6985
Alfa-Aesar: B21583, B21622
American Custom Chemicals Corp.: CRB0000873
Anward: ANW-33611, ANW-21093, ANW-23668
Apexmol Building Blocks: AM83960...132 total

ref: mol2, SDF, SMILES, flexibase
-2.22,-5.75,-11.37,4,5,0, 150.13, 4
ref: mol2, SDF, SMILES, flexibase
-2.22,-7.36,-11.74,4,5,0, 150.13, 4
hi: mol2, SDF, SMILES, flexibase
-3.07,-5.83,-55.66,3,5,-1, 149.122, 4

Similar to: 18168715, 33985865, 902219, 902225, ... 4 in total.
18152608
 
#55

ChemMol: 44024408
Alfa-Aesar: A17496, A17722
American Custom Chemicals Corp.: CRB0003382
Anward: ANW-37086, ANW-39799, ANW-14228
Apollo Scientific Bioactives: BIFS0104...50 total

ref: mol2, SDF, SMILES, flexibase
-2.64,-8.15,-12.65,5,6,0, 180.156, 5
ref: mol2, SDF, SMILES, flexibase
-2.64,-9.9,-12.65,5,6,0, 180.156, 5
ref: mol2, SDF, SMILES, flexibase
-3.50,-9.13,-15.66,5,6,0, 180.156, 5
hi: mol2, SDF, SMILES, flexibase
-3.50,-8.38,-55.27,4,6,-1, 179.148, 5

Similar to: 34448740, 1532049, 3647858,
78938685
 
#56

Ark Pharm Building Blocks: AK123571
Bide Pharmatech BB: BD247749
Molport BB: MolPort-027-837-418
Human Metabolome Database: HMDB00708
IUPHAR Database: 4715...7 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.64,-44.02,3,6,-1, 448.624, 6
78938681
 
#57

Ark Pharm Building Blocks: AK123571
Bide Pharmatech BB: BD247749
Molport BB: MolPort-027-837-418
Human Metabolome Database: HMDB00708
IUPHAR Database: 4715...7 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.76,-43.41,3,6,-1, 448.624, 6
12501661
 
#58

eMolecules: 35779725, 536121
Enolase via KEGG (EFI): C00606_2
Molport: MolPort-002-512-295
Scientific Exchange (make on demand): F-393875
Alinda: IBS-L0127240...24 total

hi: mol2, SDF, SMILES, flexibase
-4.87,-2.94,-109.41,2,5,-2, 151.143, 3
12501658
 
#59

eMolecules: 35779725, 536121
Enolase via KEGG (EFI): C00606_1
Molport: MolPort-002-512-295
Scientific Exchange (make on demand): F-393875
Alinda: IBS-L0127240...46 total

hi: mol2, SDF, SMILES, flexibase
-4.87,-2.51,-105.16,2,5,-2, 151.143, 3
53683515
 
#60

Bovine Metabolome: BMDB01396
CSF Metabolome SMPDB: HMDB01396
DrugBank-experimental: DB04375
Food Database: FDB022600
HMDB Drug: HMDB01396...19 total

ref: mol2, SDF, SMILES, flexibase
-2.42,5.5,-132.49,7,13,-1, 458.455, 9
mid: mol2, SDF, SMILES, flexibase
-2.42,4.81,-142.59,7,13,-1, 458.455, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,3.59,-85.2,8,13,0, 459.463, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,2.89,-96.37,8,13,0, 459.463, 9

Similar to: 4228266, 4228267, 17107360,
56870805
 
#61

BioSynth: W-201349
ZereneX Building Blocks: ZXC002386
AKOS BB (make-on-demand): AKOS015969076
Bovine Metabolome: BMDB01396
CSF Metabolome SMPDB: HMDB01396...29 total

ref: mol2, SDF, SMILES, flexibase
-2.42,4.8,-137.63,6,13,-2, 457.447, 9
mid: mol2, SDF, SMILES, flexibase
-2.42,4.84,-142.05,7,13,-1, 458.455, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,2.92,-94.98,8,13,0, 459.463, 9
lo: mol2, SDF, SMILES, flexibase
-2.42,3.61,-84.62,8,13,0, 459.463, 9

Similar to: 17107360,
33902553
 
#62

Element Store BB: b2star-118573-60-7
IUPHAR Database: 4593
PubChem: 3081164
SureChEMBL: SCHEMBL9852468
ref: mol2, SDF, SMILES, flexibase
3.97,8.04,-9.54,5,8,0, 472.38, 8
ref: mol2, SDF, SMILES, flexibase
3.97,8.31,-9.56,5,8,0, 472.38, 8
lo: mol2, SDF, SMILES, flexibase
3.97,9.67,-8.37,5,8,0, 472.38, 8
78938652
 
#63

IUPHAR Database: 4576
PubChem: 59001466
SureChEMBL: SCHEMBL14356929
ref: mol2, SDF, SMILES, flexibase
4.07,12.93,-41.19,2,8,1, 495.673, 6

Similar to: 35903852, 35919183, 35919938,
78938646
 
#64

IUPHAR Database: 4549
ref: mol2, SDF, SMILES, flexibase
2.83,7.51,-23.9,0,7,0, 489.491, 6
lo: mol2, SDF, SMILES, flexibase
2.83,7.98,-55.46,1,7,1, 490.499, 6
78938639
 
#65

IUPHAR Database: 4513
SureChEMBL: SCHEMBL2489554
ref: mol2, SDF, SMILES, flexibase
0.06,2.21,-21.75,5,13,0, 450.433, 6
78938629
 
#66

IUPHAR Database: 4511
PubChem: 67675290
SureChEMBL: SCHEMBL290700, SCHEMBL8722898
ref: mol2, SDF, SMILES, flexibase
0.27,0.94,-29.73,4,12,0, 435.418, 6
hi: mol2, SDF, SMILES, flexibase
0.73,-1.12,-61.41,3,12,-1, 434.41, 6
12859773
 
#67

ChemMol: 44003155, 83601130, 30103309, 97800503
eMolecules: 26219491, 661910
Molport: MolPort-002-929-560
Scientific Exchange: POD_04/0755
Acros Organics: 42972...90 total

ref: mol2, SDF, SMILES, flexibase
-1.13,3.38,-9.57,5,5,0, 129.167, 3
mid: mol2, SDF, SMILES, flexibase
-1.26,2.21,-25.45,6,5,1, 130.175, 2
lo: mol2, SDF, SMILES, flexibase
-1.13,3.29,-32.15,6,5,1, 130.175, 3
lo: mol2, SDF, SMILES, flexibase
-1.13,3.35,-27.94,6,5,1, 130.175, 3

Similar to: 896658,
34374113
 
#68

IUPHAR Database: 4502
PubChem: 10172627
SureChEMBL: SCHEMBL5275034
ref: mol2, SDF, SMILES, flexibase
3.12,5.77,-41.97,3,5,1, 377.53, 6

Similar to: 28892058, 28892063, 28892047, 28892053, ... 4 in total.
78938613
 
#69

IUPHAR Database: 4499
ref: mol2, SDF, SMILES, flexibase
0.30,8.9,-81.19,6,17,0, 618.6, 20
hi: mol2, SDF, SMILES, flexibase
0.30,8.57,-67.47,5,17,-1, 617.592, 20
78938605
 
#70

IUPHAR Database: 4499
ref: mol2, SDF, SMILES, flexibase
0.30,8.84,-84.59,6,17,0, 618.6, 20
hi: mol2, SDF, SMILES, flexibase
0.30,8.51,-64.89,5,17,-1, 617.592, 20
78938598
 
#71

IUPHAR Database: 4499
ref: mol2, SDF, SMILES, flexibase
0.30,8.9,-83.92,6,17,0, 618.6, 20
hi: mol2, SDF, SMILES, flexibase
0.30,8.61,-62.24,5,17,-1, 617.592, 20
78938589
 
#72

IUPHAR Database: 4499
ref: mol2, SDF, SMILES, flexibase
0.30,8.85,-82.1,6,17,0, 618.6, 20
hi: mol2, SDF, SMILES, flexibase
0.30,8.56,-64.21,5,17,-1, 617.592, 20
78938580
 
#73

IUPHAR Database: 4498
ref: mol2, SDF, SMILES, flexibase
-1.28,6.16,-77.87,4,11,0, 408.411, 10
hi: mol2, SDF, SMILES, flexibase
-1.28,5.83,-68.2,3,11,-1, 407.403, 10
78938571
 
#74

IUPHAR Database: 4498
ref: mol2, SDF, SMILES, flexibase
-1.28,6.2,-80.86,4,11,0, 408.411, 10
hi: mol2, SDF, SMILES, flexibase
-1.28,5.91,-62.47,3,11,-1, 407.403, 10
78938568
 
#75

IUPHAR Database: 4492
PubChem: 66658739
SureChEMBL: SCHEMBL337499
ref: mol2, SDF, SMILES, flexibase
-0.44,8.28,-68.39,4,8,-1, 385.396, 9
mid: mol2, SDF, SMILES, flexibase
-0.44,6.32,-40.87,5,8,0, 386.404, 9
78938560
 
#76

IUPHAR Database: 4491
ref: mol2, SDF, SMILES, flexibase
3.12,5.78,-41.56,3,5,1, 377.53, 6
8215403
 
#77

MedChem Express: HY-F0001
Sigma Aldrich (Building Blocks): N8129|SIGMA, N6005|SIGMA, N1161|SIGMA
Toronto Research Chemicals: N201480
Biocyc via PubChem: NADH
BMRB via PubChem: bmse000054...13 total

6036328
 
#78

BOC Sciences BB (Depleted): 107655-65-2
IBM Patent Data: 136244961
IUPHAR Database: 4355
PubChem: 53695893, 473142, 53695892, 10251477, 67434392, 129922
SureChEMBL: SCHEMBL5790304...14 total

ref: mol2, SDF, SMILES, flexibase
5.50,6.43,-5.12,3,3,0, 418.662, 5
78938549
 
#79

IUPHAR Database: 4354
PubChem: 67426622, 67570310
SureChEMBL: SCHEMBL15133633, SCHEMBL6861140, SCHEMBL8383388, SCHEMBL2489110
ref: mol2, SDF, SMILES, flexibase
5.44,6.37,-5.59,3,3,0, 418.662, 6
78938545
 
#80

IUPHAR Database: 4354
Lipidomics: LMST04030178
PubChem: 52931518, 67570310, 67426622
SureChEMBL: SCHEMBL6861140, SCHEMBL8383388, SCHEMBL2489110, SCHEMBL15133633
ref: mol2, SDF, SMILES, flexibase
5.44,6.36,-5.55,3,3,0, 418.662, 6
26671872
 
#81

eMolecules: 17665709
Alfa-Aesar: 32068
BioSynth: P-7700
MedChem Express: HY-B1247
MicroSource Pharmakon: 01501111...151 total

ref: mol2, SDF, SMILES, flexibase
7.70,18.94,-122.76,4,8,0, 562.67, 8
ref: mol2, SDF, SMILES, flexibase
7.70,18.93,-122.4,4,8,0, 562.67, 8

Similar to: 31976768, 4208846,
78938537
 
#82

IUPHAR Database: 4337
ref: mol2, SDF, SMILES, flexibase
4.47,10.54,-12.67,0,4,0, 339.35, 2
lo: mol2, SDF, SMILES, flexibase
4.47,10.99,-51.16,1,4,1, 340.358, 2
25720707
 
#83

BOC Sciences BB: 182485-36-5
Molport BB: MolPort-003-959-683
Sigma Aldrich (Building Blocks): T200|SIGMA
Tetrahedron Building Blocks: TS42262
Tocris: 2162...14 total

33822023
 
#84

ChemDB: 7969541
IUPHAR Database: 4314
PubChem: 5311433
ref: mol2, SDF, SMILES, flexibase
-1.44,1.23,-111.99,1,9,-2, 452.491, 6

Similar to: 3915614, 17126066,
78938524
 
#85

ChemDB: 7969541
IUPHAR Database: 4314
ref: mol2, SDF, SMILES, flexibase
-1.44,0.85,-108.59,1,9,-2, 452.491, 6
20765308
 
#86

IUPHAR Database: 4313
PubChem: 11532283
SureChEMBL: SCHEMBL1864265
ref: mol2, SDF, SMILES, flexibase
1.84,6.04,-23.66,2,8,0, 441.509, 8
mid: mol2, SDF, SMILES, flexibase
3.14,5.88,-58.18,1,8,-1, 440.501, 8

Similar to: 20765312, 36227369, 6296728, 6296729, 6181174, ... 9 in total.
78938504
 
#87

IUPHAR Database: 4273
PubChem: 10005966
SureChEMBL: SCHEMBL1463101
ref: mol2, SDF, SMILES, flexibase
5.03,7.31,-33.99,2,7,-1, 494.173, 5
1494244
 
#88

IUPHAR Database: 4269
SureChEMBL: SCHEMBL2383140
ref: mol2, SDF, SMILES, flexibase
6.44,16.77,-52.42,2,5,1, 492.659, 11
lo: mol2, SDF, SMILES, flexibase
6.44,17.22,-108.36,3,5,2, 493.667, 11

Similar to: 3942155, 3942161,
50704576
 
#89

IUPHAR Database: 4269
SureChEMBL: SCHEMBL2383140
ref: mol2, SDF, SMILES, flexibase
6.44,16.54,-50.06,2,5,1, 492.659, 11
lo: mol2, SDF, SMILES, flexibase
6.44,17,-106.05,3,5,2, 493.667, 11

Similar to: 3942155,
34366851
 
#90

IUPHAR Database: 4250
PubChem: 10168248, 69746308, 10185274
SureChEMBL: SCHEMBL6339213
ref: mol2, SDF, SMILES, flexibase
-1.63,7.35,-94.84,2,6,-1, 345.366, 4
mid: mol2, SDF, SMILES, flexibase
-1.63,8.95,-79.83,3,6,0, 346.374, 4

Similar to: 3989289,
78938481
 
#91

IUPHAR Database: 4250
PubChem: 10168248, 69746308, 10185274
SureChEMBL: SCHEMBL6339213
ref: mol2, SDF, SMILES, flexibase
-1.63,7.35,-72.91,2,6,-1, 345.366, 4
mid: mol2, SDF, SMILES, flexibase
-1.63,8.93,-67.2,3,6,0, 346.374, 4
34366850
 
#92

IUPHAR Database: 4250
PubChem: 10168248, 69746308, 10185274
SureChEMBL: SCHEMBL6339213
ref: mol2, SDF, SMILES, flexibase
-1.63,7.74,-71.3,2,6,-1, 345.366, 4
mid: mol2, SDF, SMILES, flexibase
-1.63,9.31,-62.63,3,6,0, 346.374, 4

Similar to: 3989289,
34366849
 
#93

IUPHAR Database: 4250
PubChem: 10168248, 69746308, 10185274
SureChEMBL: SCHEMBL6339213
ref: mol2, SDF, SMILES, flexibase
-1.63,7.52,-75.72,2,6,-1, 345.366, 4
mid: mol2, SDF, SMILES, flexibase
-1.63,9.06,-59.21,3,6,0, 346.374, 4

Similar to: 3989289,
78938460
 
#94

IUPHAR Database: 4246
PubChem: 69636646
SureChEMBL: SCHEMBL6014568
ref: mol2, SDF, SMILES, flexibase
0.66,9.43,-84.22,3,5,-1, 312.345, 7
hi: mol2, SDF, SMILES, flexibase
0.66,9.13,-124.38,2,5,-2, 311.337, 7
78938452
 
#95

IUPHAR Database: 4246
PubChem: 69636646, 54003195
SureChEMBL: SCHEMBL6014568
ref: mol2, SDF, SMILES, flexibase
0.66,9.58,-78.32,3,5,-1, 312.345, 7
hi: mol2, SDF, SMILES, flexibase
0.66,9.3,-109.99,2,5,-2, 311.337, 7
26751910
 
#96

BindingDB.org: 50132163
BOC Sciences BB (Depleted): 112791-61-4
ChEMBL12: CHEMBL103101, CHEMBL1160781
IUPHAR Database: 4224
PubChem: 16219531...7 total

ref: mol2, SDF, SMILES, flexibase
-5.07,-8.74,-476.95,5,18,-5, 495.032, 8
mid: mol2, SDF, SMILES, flexibase
-5.07,-6.45,-845.44,3,18,-7, 493.016, 8
mid: mol2, SDF, SMILES, flexibase
-5.07,-5.31,-1077.54,2,18,-8, 492.008, 8
mid: mol2, SDF, SMILES, flexibase
-5.07,-6.45,-860.24,3,18,-7, 493.016, 8
lo: mol2, SDF, SMILES, flexibase
-5.07,-9.89,-311.43,6,18,-4, 496.04, 8
78938441
 
#97

IUPHAR Database: 4220
ref: mol2, SDF, SMILES, flexibase
5.96,12.44,-4.1,0,3,0, 348.527, 3
78938435
 
#98

IUPHAR Database: 4220
SureChEMBL: SCHEMBL13394033
ref: mol2, SDF, SMILES, flexibase
5.96,12.58,-5.28,0,3,0, 348.527, 3
78938432
 
#99

IUPHAR Database: 4220
ref: mol2, SDF, SMILES, flexibase
5.96,12.52,-4.59,0,3,0, 348.527, 3
78938426
 
#100

IUPHAR Database: 4220
ref: mol2, SDF, SMILES, flexibase
5.96,12.09,-4.23,0,3,0, 348.527, 3

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 = 464 ) limit 0,100

Smiles were