Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03591484
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 |
POF | (4aS,4bR,10bS,12aS)-12a-methyl- 1,3-dioxo-2-(pyridin-3-ylmethyl)- 1,2,3,4,4a,4b,5,6,10b,11,12,12a- dodecahydronaphtho[2,1-f]isoquinolin- 8-yl sulfamate | A | 3C7P | 0.74 | |
QUN | QUINACRINE | A,B | 1JQE | 0.7 | |
P13 | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | B | 1UTS | 0.72 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.7 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.7 | |
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 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.71 | |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.73 | |
ELP | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID | A | 1M0P | 0.72 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.7 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.7 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.74 | |
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 | |
GK1 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin- 7-yl}-1,3-thiazole-2-carbaldehyde | A | 2ZAZ | 0.7 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.89 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.7 | |
PIX | 4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid | A,B | 2WAP | 0.73 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.72 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.72 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.75 | |
AEJ | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.72 | |
124 | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.72 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.72 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.75 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.72 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.72 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.72 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.71 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.71 | |
TTQ | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | D,H | 2I0S | 0.7 | |
TTQ | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | D,H | 2HXC | 0.7 | |
Q22 | (4aS)-5-[(2,4-diaminopteridin-6- yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin- 8-ol | A | 3D80 | 0.71 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.71 | |
LI4 | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2- AMINE | A | 1WBW | 0.74 | |
SRO | SEROTONIN | A,B | 3BRN | 0.78 | |
SRO | SEROTONIN | A | 2QEH | 0.78 | |
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 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.7 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.73 | |
BER | BERBERINE | A | 3D6Y | 0.72 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.72 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.72 | |
BER | BERBERINE | A | 2QVD | 0.72 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.72 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.72 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.79 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.77 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.72 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.72 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.72 | |
2EA | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.72 | |
HRP | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.72 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.74 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.8 | |
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 | 0.71 | |
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 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.72 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.72 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.7 | |
4PP | C,L | 1XKA | 0.73 | ||
4PP | A,B,C,D | 1XKB | 0.73 |