Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03241621
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 |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.73 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.73 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.7 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.7 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.73 | |
P13 | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | B | 1UTS | 0.72 | |
SS3 | (2S)-1-{[5-(3-METHYL-1H-INDAZOL- 5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN- 2-AMINE | A | 2UZT | 0.71 | |
PZZ | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A | 1A53 | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RHG | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1KFB | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RH9 | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1A5B | 0.75 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1QOQ | 0.75 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.71 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.71 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.72 | |
710 | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)- 1H-INDOL-2-YL]-1H-INDAZOL-6-YL}- 2H-1,2,3-TRIAZOL-4-YL)METHANOL | A | 2HOG | 0.79 | |
600 | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL]-2-[(1S)- 1-METHOXY-3-METHYLBUTYL]QUINOLIN- 8-YLPHOSPHONIC ACID | A,B | 1Q6T | 0.71 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.71 | |
6EA | (1S)-1-(1H-INDOL-3-YLMETHYL)-2- (2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN- 5-YLOXY)-EHYLAMINE | E | 2F7Z | 0.72 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.71 | |
4EA | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.71 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.73 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.73 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.71 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.71 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | C | 2OXM | 0.73 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | B,C | 2OYT | 0.73 | |
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 | 0.7 | |
TRW | TRW3-(2-AMINO-3-HYDROXY-PROPYL)- 6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO- INDOL-7-OL | A,B,C | 1PBY | 0.7 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.7 | |
POO | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.71 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDS | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDR | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDV | 0.74 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2UZU | 0.74 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.75 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.75 | |
CCK | [1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid | X | 3E3B | 0.7 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.73 | |
FLD | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE- 1,6-DIAMINE | A,B | 154D | 0.71 | |
PLT | [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL- PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE | B | 2TYS | 0.71 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1QPA | 0.73 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1B80 | 0.73 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A | 1ROV | 0.73 | |
SRO | SEROTONIN | A,B | 3BRN | 0.73 | |
SRO | SEROTONIN | A | 2QEH | 0.73 | |
UCN | 7-HYDROXYSTAUROSPORINE | A | 1OKZ | 0.71 | |
UCN | 7-HYDROXYSTAUROSPORINE | A,C | 1PKD | 0.71 | |
UCN | 7-HYDROXYSTAUROSPORINE | A | 1NVQ | 0.71 | |
IPF | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N- ACETYLTRYPTOPHYLVALYL)PYRROLIDIN- 2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | A,B | 2A1E | 0.72 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.73 | |
SIE | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER | A | 2BRP | 0.72 |