Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02767926
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 |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.74 | ![]() |
CAU![]() | (2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol | A | 2RH1 | 0.71 | ![]() |
SRO![]() | SEROTONIN | A,B | 3BRN | 0.76 | ![]() |
SRO![]() | SEROTONIN | A | 2QEH | 0.76 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.79 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.79 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.72 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.72 | ![]() |
806![]() | 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN- 4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE- 2-CARBOXIMIDAMID | A | 1QB9 | 0.7 | ![]() |
SIE![]() | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER | A | 2BRP | 0.8 | ![]() |
1HP![]() | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.71 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GJB | 0.71 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I | 1GJ5 | 0.71 | ![]() |
130![]() | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GJC | 0.71 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3G | 0.74 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3E | 0.74 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | H,I | 1O2G | 0.74 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | B | 1O5A | 0.74 | ![]() |
696![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3F | 0.74 | ![]() |
I3N![]() | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.73 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RU9 | 0.73 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUM | 0.73 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUL | 0.73 | ![]() |
4HT![]() | 4-HYDROXYTRYPTOPHAN | H,L | 1RUA | 0.73 | ![]() |
IOK![]() | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.73 | ![]() |
839![]() | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.71 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.79 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.79 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.79 | ![]() |
ELP![]() | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID | A | 1M0P | 0.73 | ![]() |
EES![]() | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.7 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 1K83 | 0.73 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L, M,T | 2VUM | 0.73 | ![]() |
TRX![]() | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 3CQZ | 0.73 | ![]() |
VAR![]() | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol | A,B,C,D | 3BHV | 0.7 | ![]() |
124![]() | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.77 | ![]() |
CQA![]() | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.73 | ![]() |
7NH![]() | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.74 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.74 | ![]() |
IOS![]() | 3-SULFOOXY-1H-INDOLE | A,B | 2BXH | 0.71 | ![]() |
PBQ![]() | PENTABROMOPSEUDILIN | A | 2JHR | 0.7 | ![]() |
1BM![]() | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.73 | ![]() |
783![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.7 | ![]() |
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 | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI0 | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GI8 | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I | 1GHW | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI1 | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI3 | 0.7 | ![]() |
BMZ![]() | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHX | 0.7 | ![]() |
TFL![]() | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM | A | 2J3Q | 0.75 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.71 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.71 | ![]() |
CZM![]() | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.71 | ![]() |
DEH![]() | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.73 | ![]() |
9HP![]() | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.79 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H | 1O5E | 0.72 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | B | 1GJ7 | 0.72 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H,I | 1GJ4 | 0.72 | ![]() |
132![]() | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | A | 1GJ6 | 0.72 | ![]() |
ASE![]() | N-ACETYL SEROTONIN | A | 1NAS | 0.74 | ![]() |
IHX![]() | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.71 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.74 | ![]() |
3ID![]() | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.74 | ![]() |
HRP![]() | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.7 | ![]() |
122![]() | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI4 | 0.7 | ![]() |
122![]() | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI2 | 0.7 | ![]() |