Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00195740
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 |
PFH![]() | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.72 | ![]() |
43A![]() | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.7 | ![]() |
PO5![]() | (2S)-1-(dimethylamino)-3-(4-{[4- (6-morpholin-4-ylpyrazolo[1,5-b]pyridazin- 3-yl)pyrimidin-2-yl]amino}phenoxy)propan- 2-ol | A | 3EID | 0.71 | ![]() |
ABO![]() | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H- INDAZOL-6-YL]-2-METHOXYPHENOL | A | 2C3K | 0.78 | ![]() |
CT5![]() | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)-3-METHYL-1H-PYRAZOL-5-YL]- 6-ETHYLBENZENE-1,3-DIOL | A | 2BRC | 0.71 | ![]() |
CT5![]() | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)-3-METHYL-1H-PYRAZOL-5-YL]- 6-ETHYLBENZENE-1,3-DIOL | A,B | 2CDD | 0.71 | ![]() |
CT5![]() | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)-3-METHYL-1H-PYRAZOL-5-YL]- 6-ETHYLBENZENE-1,3-DIOL | A,B | 2BT0 | 0.71 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.75 | ![]() |
253![]() | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.73 | ![]() |
T4B![]() | A | 2NNQ | 0.79 | ![]() | |
P4A![]() | 4-[4-(4-methoxyphenyl)-5-methyl- 1H-pyrazol-3-yl]benzene-1,3-diol | A,B | 2ZDX | 0.7 | ![]() |
SAV![]() | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.71 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.71 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.71 | ![]() |
KS4![]() | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.76 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.74 | ![]() |
DEH![]() | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.72 | ![]() |
B96![]() | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.74 | ![]() |
B96![]() | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.74 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.75 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.71 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.71 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.71 | ![]() |
S03![]() | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.71 | ![]() |
KIM![]() | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.71 | ![]() |
EES![]() | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.71 | ![]() |
RB1![]() | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.71 | ![]() |
JEN![]() | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 1R09 | 0.71 | ![]() |
JEN![]() | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 2HWF | 0.71 | ![]() |
134![]() | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL- CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE- 5-CARBOXAMIDINE | B | 1GJ9 | 0.73 | ![]() |
D05![]() | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL- 1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4(5H)-ONE | A | 2B54 | 0.7 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.72 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2BAQ | 0.76 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2GFS | 0.76 | ![]() |