Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01991420
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BQN | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}- 2,3-bis(trifluoromethyl)phenyl]prop- 2-enoyl}morpholine | B,C | 3BQN | 0.7 | |
BT3 | 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- BENZYL]-2-4-(2-PYRROLIDIN-1-YL- ETHOXY)-PHENYL] -BENZO[B]THIOPHEN- 6-OL | B,H | 1D3P | 0.74 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.7 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.72 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.72 | |
M98 | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM0 | 0.71 | |
M99 | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)- 2-(5-(1,1,1,3,3,3-HEXAFLUORO-2- HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1- OXIDE | A,B,C,D | 2FM5 | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.76 | |
982 | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE- 2-CARBOXYLIC ACID | A | 2AZR | 0.81 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A | 3ET3 | 0.74 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET1 | 0.74 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET2 | 0.74 | |
YBH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.71 | |
TEI | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)- 4-METHYL-5-THIAZOLE-CARBOXYLIC ACID | A,B | 1N5X | 0.7 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.74 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.74 | |
PF3 | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.75 | |
PSZ | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB3 | 0.74 | |
PSZ | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB2 | 0.74 | |
PSZ | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QBT | 0.74 | |
PSZ | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QA3 | 0.74 | |
PSZ | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2Q7W | 0.74 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.72 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.72 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.77 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.77 | |
BT1 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- PHENYL]-BENZO[B]THIOPHEN-3-YL}- [4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]- METHANONE | B,H | 1D3T | 0.77 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.71 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.71 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.71 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.71 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.71 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.71 |