Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02840570
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 |
965 | (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2- DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | A,B,D | 1PQ6 | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.71 | |
C5M | N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]- 2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY- 2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C8X | 0.75 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.71 | |
REN | (S)-reticuline | A | 3FWA | 0.75 | |
REN | (S)-reticuline | A | 3D2D | 0.75 | |
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 | 0.72 | |
TOL | TOLRESTAT | A | 2PDL | 0.72 | |
TOL | TOLRESTAT | A | 2FZD | 0.72 | |
TOL | TOLRESTAT | A | 2FZB | 0.72 | |
TOL | TOLRESTAT | A | 1AH3 | 0.72 | |
TOL | TOLRESTAT | X | 1ZUA | 0.72 | |
TOL | TOLRESTAT | A | 1AE4 | 0.72 | |
SNB | 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY- 3,4-DIHYDROISOQUINOLINE | A | 2WAJ | 0.72 | |
QUM | QUINACRINE MUSTARD | A,B | 1GXF | 0.73 | |
R23 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.81 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.7 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.74 | |
4CR | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)- N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN- 1-AMINIUM | A,B | 2C65 | 0.71 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.73 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.7 | |
DPD | A,B | 1QIW | 0.72 | ||
DPD | A | 1QIV | 0.72 |