Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02614502
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 |
218![]() | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.77 | ![]() |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | ![]() |
255![]() | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.72 | ![]() |
24A![]() | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.71 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.7 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.8 | ![]() |
3FP![]() | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6- {[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 4-YL)AMINO]PHENOXY}PROPAN-2-OL | A | 1V1K | 0.71 | ![]() |
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 | ![]() |
5MS![]() | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.78 | ![]() |
6IG![]() | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.87 | ![]() |
5BP![]() | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 0.7 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.71 | ![]() |
5CP![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]-6-(methylamino)pyrimidin- 2-yl}amino)phenyl]acetonitrile | A,B | 3BHH | 0.71 | ![]() |
55F![]() | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.71 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.78 | ![]() |
2SC![]() | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.71 | ![]() |
406![]() | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.72 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | ![]() |