Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02110250
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 |
BDE | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE | A,B,C,D,E,F | 2GLP | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.76 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.76 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 1K83 | 0.7 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L, M,T | 2VUM | 0.7 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 3CQZ | 0.7 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.84 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.84 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBT | 0.71 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBU | 0.71 | |
BMS | A,B | 1DKF | 0.74 | ||
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.74 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.71 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.71 | |
BRF | A | 1UUO | 0.7 | ||
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.77 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.73 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.72 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.73 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.7 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.81 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.73 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.73 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.73 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.73 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.74 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.7 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.73 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.74 | |
24X | H,L | 2EC9 | 0.72 | ||
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.73 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.72 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.72 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.76 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.76 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.7 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.77 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.77 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.77 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.77 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.78 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.71 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.7 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.7 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.77 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.81 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.81 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.81 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.81 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.81 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.81 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.81 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.81 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.81 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.81 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.81 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.81 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.81 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.81 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.81 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.81 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.81 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.81 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.81 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.81 |