Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326546
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 |
DD2![]() | 5-{[1-(2,3-dichlorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL9 | 0.71 | ![]() |
EES![]() | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.74 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
A4L![]() | 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)- 8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)- 5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}- 6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM | A,B | 1XCS | 0.73 | ![]() |
7PC![]() | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.7 | ![]() |
CQA![]() | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.92 | ![]() |
124![]() | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.72 | ![]() |
DD3![]() | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline- 2,4-diamine | A,B | 3BLA | 0.7 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.71 | ![]() |
7NH![]() | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.74 | ![]() |
238![]() | A | 2PRH | 0.7 | ![]() | |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.74 | ![]() |
ASE![]() | N-ACETYL SEROTONIN | A | 1NAS | 0.7 | ![]() |
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 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.7 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3G | 0.71 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3E | 0.71 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | H,I | 1O2G | 0.71 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | B | 1O5A | 0.71 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3F | 0.71 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.71 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.71 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H | 1O5E | 0.78 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | B | 1GJ7 | 0.78 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H,I | 1GJ4 | 0.78 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | A | 1GJ6 | 0.78 | ![]() |
9HP![]() | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.76 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.71 | ![]() |