Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03211287
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 |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.71 | ![]() |
984![]() | CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-[(1-METHYL)-PIPERIDIN]-4-YL-3- PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN- 2-YL}AMINE | A | 1PMN | 0.76 | ![]() |
ABZ![]() | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL- 4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]- BENZONITRILE | A | 1S9G | 0.71 | ![]() |
778![]() | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B,C,D,F,G,H, I,J,K,L | 1S64 | 0.7 | ![]() |
778![]() | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B | 1S63 | 0.7 | ![]() |
AP9![]() | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.8 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.88 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.88 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.88 | ![]() |
AD5![]() | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.72 | ![]() |
1CI![]() | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE | A,B,C,D,E,F,G | 2Q6N | 0.79 | ![]() |
12C![]() | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 0.74 | ![]() |
5MB![]() | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.78 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.74 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.74 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.74 | ![]() |
7AC![]() | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.79 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | ![]() |
880![]() | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.76 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1R | 0.76 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1Q | 0.76 | ![]() |
24A![]() | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.74 | ![]() |
ABI![]() | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.78 | ![]() |
501![]() | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)- 5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE- 2,7-DIAMINE | A,B | 1ZGV | 0.71 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.75 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.75 | ![]() |