Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03240760
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 |
214![]() | 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN- 8-YLPHOSPHONIC ACID | A,B | 1Q6S | 0.7 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.71 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.74 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.72 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.72 | ![]() |
R11![]() | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.72 | ![]() |
R20![]() | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.71 | ![]() |
422![]() | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | ![]() |
T50![]() | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.71 | ![]() |
D2A![]() | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.7 | ![]() |
3LP![]() | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.7 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | ![]() |
335![]() | [4-(2-(1H-1,2,3-BENZOTRIAZOL-1- YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID | A | 1Q6J | 0.76 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.74 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | ![]() |
P27![]() | {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)- 2-(3,4-DIFLUOROPHENYL)PROPANE-1,3- DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) | A | 1Q6M | 0.75 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A,C,D | 3F5X | 0.7 | ![]() |
EZV![]() | 4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline | A | 3EZV | 0.7 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | ![]() |
213![]() | A,B | 1Q6P | 0.75 | ![]() |