Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008064
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 |
24X![]() | H,L | 2EC9 | 0.71 | ![]() | |
4AH![]() | B | 2CEN | 0.8 | ![]() | |
4PP![]() | C,L | 1XKA | 0.79 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.79 | ![]() | |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.79 | ![]() |
1IN![]() | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.79 | ![]() |
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 | 0.72 | ![]() |
062![]() | 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL- L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N- OXIDE | A,B | 1ZRB | 0.73 | ![]() |
567![]() | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4- carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-3- (1H-indol-3-yl)-1-oxo-propan-2- yl]sulfamoyl]ethanoic acid | H,L | 2ZWL | 0.7 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.73 | ![]() |
6CW![]() | 6-CHLORO-L-TRYPTOPHAN | B | 2GV2 | 0.71 | ![]() |
6CW![]() | 6-CHLORO-L-TRYPTOPHAN | A,B | 2AXI | 0.71 | ![]() |
6CW![]() | 6-CHLORO-L-TRYPTOPHAN | A,L,M | 3FEA | 0.71 | ![]() |
4FW![]() | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.74 | ![]() |
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 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.71 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.71 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.74 | ![]() |
2S8![]() | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.78 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.74 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.74 | ![]() |
464![]() | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.71 | ![]() |
2AH![]() | B | 2CEM | 0.81 | ![]() | |
3IL![]() | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.72 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.74 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.74 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.74 | ![]() |