Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00688133
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 |
2AH![]() | B | 2CEM | 0.72 | ![]() | |
TRW![]() | TRW3-(2-AMINO-3-HYDROXY-PROPYL)- 6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO- INDOL-7-OL | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MG3 | 0.71 | ![]() |
TRW![]() | TRW3-(2-AMINO-3-HYDROXY-PROPYL)- 6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO- INDOL-7-OL | A,B,C | 1PBY | 0.71 | ![]() |
LZ9![]() | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.71 | ![]() |
LZ8![]() | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.71 | ![]() |
4AH![]() | B | 2CEN | 0.71 | ![]() | |
DAY![]() | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)- 1,11-dihydroxy-2,5,10a,12a-tetramethyl- 7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a- dodecahydrocyclopenta[5,6]naphtho[1,2- f]indazol-1-yl]-2-hydroxyethanone | A | 3BQD | 0.74 | ![]() |
RIE![]() | (3R,5R)-7-[1-(4-fluorophenyl)-4- (1-methylethyl)-3-{methyl[(1R)- 1-phenylethyl]carbamoyl}-1H-pyrazol- 5-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 2R4F | 0.71 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2BAQ | 0.7 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2GFS | 0.7 | ![]() |
76A![]() | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4- HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2- C]PYRAZOLE-6-CARBOXAMIDE | A | 2E9N | 0.7 | ![]() |
DR7![]() | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | B | 2AQU | 0.71 | ![]() |
DR7![]() | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2FXD | 0.71 | ![]() |
DR7![]() | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2O4K | 0.71 | ![]() |
DR7![]() | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A,B | 2FXE | 0.71 | ![]() |
P10![]() | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.7 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.7 | ![]() |
82A![]() | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)- 2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJJ | 0.74 | ![]() |
M54![]() | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)- 9-(1H-pyrazol-4-yl)benzo[h]isoquinolin- 1(2H)-one | A | 2R0U | 0.7 | ![]() |