Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00820737
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 |
C5M | N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]- 2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY- 2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C8X | 0.7 | |
PEM | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID | A,B | 1IWH | 0.71 | |
14A | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.71 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.71 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.7 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.71 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.74 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.74 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.74 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.72 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.72 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.72 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.74 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.77 | |
MLG | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]- N-METHYL-N-PROP-2-YNYLAMINE | A,B | 2BXR | 0.72 | |
MLG | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]- N-METHYL-N-PROP-2-YNYLAMINE | A,B | 2BXS | 0.72 | |
MLG | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]- N-METHYL-N-PROP-2-YNYLAMINE | A,B,C,D | 1O5W | 0.72 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.71 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.7 | |
R23 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.81 | |
DPD | A,B | 1QIW | 0.75 | ||
DPD | A | 1QIV | 0.75 | ||
REN | (S)-reticuline | A | 3FWA | 0.71 | |
REN | (S)-reticuline | A | 3D2D | 0.71 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.71 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.74 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.71 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.7 | |
QUM | QUINACRINE MUSTARD | A,B | 1GXF | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.74 | |
965 | (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2- DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | A,B,D | 1PQ6 | 0.74 |