Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00518647
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 |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.73 | ![]() |
223![]() | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN- 3-OL | A,B,C,D,E,F | 2ISC | 0.71 | ![]() |
BAO![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.71 | ![]() |
BAO![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 0.71 | ![]() |
1BM![]() | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.71 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.74 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.74 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.74 | ![]() |
BAI![]() | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.74 | ![]() |
BAK![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.72 | ![]() |
BAK![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.72 | ![]() |
BAK![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.72 | ![]() |
BAK![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.72 | ![]() |
BAK![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.72 | ![]() |
AD5![]() | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.78 | ![]() |
7AC![]() | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.71 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.75 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.75 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.75 | ![]() |
ABI![]() | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.74 | ![]() |
1DA![]() | 1-DEAZA-ADENOSINE | A | 1ADD | 0.7 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.72 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.74 | ![]() |
BAB![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.74 | ![]() |
AP9![]() | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.78 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1R | 0.71 | ![]() |
9DA![]() | 9-DEAZAADENINE | A | 1L1Q | 0.71 | ![]() |
5MB![]() | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.73 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.72 | ![]() |
24A![]() | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.75 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2G | 0.76 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2F | 0.76 | ![]() |
BAH![]() | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | H,I,L | 1C1W | 0.76 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.75 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.75 | ![]() |
23D![]() | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.75 | ![]() |