Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00170203
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 |
XMM | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO- 1H-INDOL-3-YLOXY)-TETRAHYDRO-6- (HYDROXYMETHYL)-2H-PYRAN-3,4,5- TRIOL | A,B,C,D | 2JE9 | 0.7 | |
XMM | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO- 1H-INDOL-3-YLOXY)-TETRAHYDRO-6- (HYDROXYMETHYL)-2H-PYRAN-3,4,5- TRIOL | A,B,C,D | 2JEC | 0.7 | |
XMM | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO- 1H-INDOL-3-YLOXY)-TETRAHYDRO-6- (HYDROXYMETHYL)-2H-PYRAN-3,4,5- TRIOL | A,B | 1ZGS | 0.7 | |
XMM | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO- 1H-INDOL-3-YLOXY)-TETRAHYDRO-6- (HYDROXYMETHYL)-2H-PYRAN-3,4,5- TRIOL | A | 2JE7 | 0.7 | |
XMM | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO- 1H-INDOL-3-YLOXY)-TETRAHYDRO-6- (HYDROXYMETHYL)-2H-PYRAN-3,4,5- TRIOL | A | 2JDZ | 0.7 | |
4LG | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETATE | A,B | 2G27 | 0.72 | |
900 | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8Q | 0.75 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.71 | |
858 | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.7 | |
ZYE | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.7 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.73 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.74 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.71 | |
43A | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.73 | |
AI3 | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2- C]ISOQUINOLIN-6-IUM | A,C,D | 1TL8 | 0.76 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.77 | |
3LG | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.73 | |
6EA | (1S)-1-(1H-INDOL-3-YLMETHYL)-2- (2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN- 5-YLOXY)-EHYLAMINE | E | 2F7Z | 0.7 | |
H8H | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)- 7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]- 5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN- 4-AMINE | A | 2H8H | 0.7 | |
QUN | QUINACRINE | A,B | 1JQE | 0.74 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 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 | |
887 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.73 | |
LX2 | [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2- diphenylethyl)amino}propoxy)-1H- indol-1-yl]acetic acid | A,B,C,D | 3FC6 | 0.71 | |
BER | BERBERINE | A | 3D6Y | 0.77 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.77 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.77 | |
BER | BERBERINE | A | 2QVD | 0.77 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.7 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.74 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.74 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.71 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.7 | |
7X8 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | A | 2VX1 | 0.72 | |
61E | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]- 9-hydroxy-6-methylpyrrolo[3,4-c]carbazole- 1,3(2H,6H)-dione | A | 3BIZ | 0.72 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.73 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.73 | |
PLT | [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL- PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE | B | 2TYS | 0.71 | |
2RL | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.76 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.74 | |
CY7 | S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4- (PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}- 3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN- 6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]- 3-OXOPROPYL}-L-CYSTEINE | A,B | 2JIV | 0.73 | |
587 | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.7 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.74 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.74 | |
7X1 | N-(5-chloro-1,3-benzodioxol-4-yl)- 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin- 4-amine | A | 2VWU | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.72 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.72 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.72 | |
2EA | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.7 |