Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00940976
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 |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.71 | |
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 | 0.7 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.72 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.74 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.74 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.74 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.74 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.74 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.74 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.74 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.74 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.74 | |
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 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.77 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.77 | |
CTE | 7-CHLOROTRYPTOPHAN | A | 2AR8 | 0.71 | |
CTE | 7-CHLOROTRYPTOPHAN | A | 2V7L | 0.71 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.7 | |
CLI | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID | A,F | 1LEV | 0.74 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.7 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | B | 2GV2 | 0.73 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,B | 2AXI | 0.73 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,L,M | 3FEA | 0.73 | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.72 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.72 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.72 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.78 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.78 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.78 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.78 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.71 | |
DTE | 7-CL-D-TRYPTOPHAN | A | 2V7M | 0.71 | |
2CC | 3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid | A | 3A1L | 0.73 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.71 |