Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03291134
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 |
107![]() | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL- 8-YLMETHYL)-AMINO]-N-PYRIDIN-2- YL-BENZENESULFONAMIDE | A,C | 1FVV | 0.7 | ![]() |
AK2![]() | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.75 | ![]() |
AK1![]() | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.78 | ![]() |
BBZ![]() | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.77 | ![]() |
BBZ![]() | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.77 | ![]() |
AK7![]() | 1-(5-{2-[(6-amino-5-bromopyrimidin- 4-yl)amino]ethyl}-1,3-thiazol-2- yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3DJ7 | 0.7 | ![]() |
654![]() | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.73 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.72 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.72 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.72 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.72 | ![]() |
BMI![]() | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.71 | ![]() |
C4E![]() | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.72 | ![]() |
1IG![]() | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1N | 0.74 | ![]() |
AK3![]() | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3- d]pyrimidin-7-yl)amino]ethyl}-1,3- thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | A | 3D2I | 0.78 | ![]() |
AK4![]() | (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}- 1,3-thiazol-5-yl)ethyl]amino}-1H- pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid | A | 3D2K | 0.7 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.7 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.72 | ![]() |
AEE![]() | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2J6M | 0.73 | ![]() |
AEE![]() | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2JIU | 0.73 | ![]() |
AEE![]() | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITT | 0.73 | ![]() |
AEE![]() | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITP | 0.73 | ![]() |
C02![]() | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.75 | ![]() |
815![]() | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.7 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.7 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.73 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.73 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.73 | ![]() |
24A![]() | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.73 | ![]() |