Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02198078
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 |
7NH![]() | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.7 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.76 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.76 | ![]() |
ET0![]() | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.7 | ![]() |
RO2![]() | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)- 1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]- BENZIMIDAZOL-2-YL]-PHENOL | A | 303D | 0.71 | ![]() |
RO2![]() | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)- 1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]- BENZIMIDAZOL-2-YL]-PHENOL | A | 302D | 0.71 | ![]() |
134![]() | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL- CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE- 5-CARBOXAMIDINE | B | 1GJ9 | 0.71 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.71 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.71 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.71 | ![]() |
RB1![]() | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)METHYL]PHENOL | A | 2PIQ | 0.7 | ![]() |
SRO![]() | SEROTONIN | A,B | 3BRN | 0.8 | ![]() |
SRO![]() | SEROTONIN | A | 2QEH | 0.8 | ![]() |
EES![]() | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.72 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 3EN7 | 0.71 | ![]() |
ABJ![]() | 3-[4-AMINO-1-(1-METHYLETHYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL | A | 2V4L | 0.71 | ![]() |
CR4![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}BENZENOLATE | A | 1O2S | 0.72 | ![]() |
CR4![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}BENZENOLATE | B | 1P57 | 0.72 | ![]() |
IOS![]() | 3-SULFOOXY-1H-INDOLE | A,B | 2BXH | 0.71 | ![]() |
ALH![]() | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.71 | ![]() |
824![]() | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 1X8B | 0.71 | ![]() |
HRP![]() | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.74 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI0 | 0.75 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GI8 | 0.75 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I | 1GHW | 0.75 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI1 | 0.75 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI3 | 0.75 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHX | 0.75 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 1K83 | 0.71 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L, M,T | 2VUM | 0.71 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 3CQZ | 0.71 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H | 1O5E | 0.74 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | B | 1GJ7 | 0.74 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H,I | 1GJ4 | 0.74 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | A | 1GJ6 | 0.74 | ![]() |
ASE![]() | N-ACETYL SEROTONIN | A | 1NAS | 0.77 | ![]() |
IBB![]() | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | A | 109D | 0.71 | ![]() |
124![]() | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.82 | ![]() |
802![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-FLUOROBENZENOLATE | A | 1O35 | 0.71 | ![]() |
780![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O39 | 0.7 | ![]() |
780![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3D | 0.7 | ![]() |
780![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3C | 0.7 | ![]() |
780![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3A | 0.7 | ![]() |
780![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3B | 0.7 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHJ | 0.71 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 3BHM | 0.71 | ![]() |
AB3![]() | 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL)PHENOL | A | 1WMA | 0.71 | ![]() |
122![]() | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI4 | 0.75 | ![]() |
122![]() | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI2 | 0.75 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.73 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.73 | ![]() |
172![]() | 2-AMINO-5-HYDROXY-BENZIMIDAZOLE | A | 1FV9 | 0.71 | ![]() |
CR3![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2H | 0.71 | ![]() |
E96![]() | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE- 5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY- BENZENE] | A | 453D | 0.72 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3G | 0.76 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3E | 0.76 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | H,I | 1O2G | 0.76 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | B | 1O5A | 0.76 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3F | 0.76 | ![]() |
TRO![]() | 2-HYDROXY-TRYPTOPHAN | A | 1KB0 | 0.73 | ![]() |
TRO![]() | 2-HYDROXY-TRYPTOPHAN | A | 1G3P | 0.73 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RU9 | 0.71 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUM | 0.71 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUL | 0.71 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUA | 0.71 | ![]() |
907![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE | A | 1O3I | 0.73 | ![]() |
907![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE | A | 1O3H | 0.73 | ![]() |
IOK![]() | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.71 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GJB | 0.73 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I | 1GJ5 | 0.73 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GJC | 0.73 | ![]() |
783![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.73 | ![]() |
123![]() | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI9 | 0.72 | ![]() |
123![]() | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GI5 | 0.72 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.76 | ![]() |