Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00452321
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 |
THA | TACRINE | A,B | 2AOW | 0.71 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | |
THA | TACRINE | A,B | 2AOX | 0.71 | |
THA | TACRINE | A | 1ACJ | 0.71 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.76 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.76 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.76 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.76 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.76 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.73 | |
116 | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWJ | 0.75 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
BRF | A | 1UUO | 0.72 | ||
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.73 | |
QUN | QUINACRINE | A,B | 1JQE | 0.71 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.73 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.76 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.72 | |
T98 | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO- 2H-3,1-BENZOXAZIN-6-YL)-1-METHYL- 1H-PYRROLE-2-CARBONITRILE | A,B | 1ZUC | 0.78 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.77 | |
615 | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.7 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.7 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.7 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.74 | |
BER | BERBERINE | A | 3D6Y | 0.73 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.73 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.73 | |
BER | BERBERINE | A | 2QVD | 0.73 |