Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00270997
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 |
NPZ![]() | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A | 3ENE | 0.7 | ![]() |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | ![]() |
PD5![]() | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.74 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.73 | ![]() |
MBB![]() | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.72 | ![]() |
C19![]() | 3-(2-aminoquinazolin-6-yl)-1-(3,3- dimethylindolin-6-yl)-4-methylpyridin- 2(1H)-one | A,B | 3CP9 | 0.71 | ![]() |
IH3![]() | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID [4-(2-AMINO-3H- IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE | 2,3 | 1C4Y | 0.7 | ![]() |
IXH![]() | 8-(2,3-dihydro-1H-inden-5-yl)-2- ({4-[(3R,5S)-3,5-dimethylpiperazin- 1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BEA | 0.71 | ![]() |
BBZ![]() | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.7 | ![]() |
BBZ![]() | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.7 | ![]() |
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 | 0.72 | ![]() |
QPP![]() | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.72 | ![]() |
CL3![]() | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.85 | ![]() |
FTB![]() | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.72 | ![]() |
406![]() | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.71 | ![]() |
AYM![]() | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.7 | ![]() |
N4D![]() | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.71 | ![]() |
1AU![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.7 | ![]() |
170![]() | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}- 2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO- 2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE | A,B | 1SL3 | 0.71 | ![]() |
TSX![]() | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.71 | ![]() |
BOZ![]() | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC | A | 1XUJ | 0.71 | ![]() |
LIY![]() | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)- 2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN- 7-YL]PYRIMIDINE-2,4-DIAMINE | A,B | 2IKU | 0.71 | ![]() |
D2A![]() | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.7 | ![]() |
IZZ![]() | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.7 | ![]() |
12C![]() | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 0.71 | ![]() |
K10![]() | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.7 | ![]() |
NAZ![]() | N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN- 2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7- OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN- 2-YL)METHYL]-BETA-ALANINAMIDE | A,B | 1X26 | 0.72 | ![]() |
D94![]() | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.71 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.73 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.73 | ![]() |
PD3![]() | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.73 | ![]() |
RBS![]() | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)- ACRYLAMIDE | A,B | 2HWO | 0.71 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.7 | ![]() |
T74![]() | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.7 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.71 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.71 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.71 | ![]() |
C35![]() | N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL- 1H-1,2,4-TRIAZOL-3-YL]CARBONYL}- N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL- L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L- PHENYLALANINAMIDE | B,D | 2V22 | 0.71 | ![]() |
QIG![]() | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.71 | ![]() |