Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00710882
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 |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITZ | 0.7 | |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITO | 0.7 | |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITY | 0.7 | |
LO2 | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}- 1,1,1,3,3,3-hexafluoropropan-2- ol | A,B,C,D | 3FAL | 0.73 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.72 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.72 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.72 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.7 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.8 | |
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 | 0.75 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.79 | |
BER | BERBERINE | A | 3D6Y | 0.71 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.71 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.71 | |
BER | BERBERINE | A | 2QVD | 0.71 | |
REN | (S)-reticuline | A | 3FWA | 0.78 | |
REN | (S)-reticuline | A | 3D2D | 0.78 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.7 | |
GNT | (-)-GALANTHAMINE | A | 1QTI | 0.7 | |
GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.7 | |
GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.7 | |
GNT | (-)-GALANTHAMINE | A | 1W6R | 0.7 | |
451 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.71 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.74 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.7 | |
ZD6 | 4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY- 7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2IVU | 0.71 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.84 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.74 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.72 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.72 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.72 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.72 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.72 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.72 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.72 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.71 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.72 | |
DPD | A,B | 1QIW | 0.75 | ||
DPD | A | 1QIV | 0.75 | ||
771 | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.73 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.78 | |
QUM | QUINACRINE MUSTARD | A,B | 1GXF | 0.7 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.75 |