Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02852849
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 |
HQL | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL- 5-YL)PROPYL]PIPERIDINE | A,B,C,D | 2CVD | 0.7 |  |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.71 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.73 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.82 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.96 | |
FC1 | THIOCOUMARIN | A | 2BHJ | 0.71 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.7 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.75 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.77 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.77 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.81 | |
HC7 | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.7 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.74 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.74 | |
BZN | N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin- 3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide | B | 3BHE | 0.72 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.77 | |
SBX | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.7 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.81 | |
| HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.81 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.7 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.7 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.7 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.7 | |
| INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.75 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.74 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.7 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.79 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.73 | |