Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00868719
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 |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.7 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.73 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.73 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.73 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.73 | |
EDR | EDROPHONIUM ION | A | 2ACK | 0.73 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.71 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.71 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.77 | |
CP8 | A | 1UTT | 0.71 | ||
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.71 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.76 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPV | 0.71 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 2O9I | 0.71 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B,C,D | 1PQC | 0.71 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 1UHL | 0.71 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPW | 0.71 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.71 | |
REN | (S)-reticuline | A | 3FWA | 0.71 | |
REN | (S)-reticuline | A | 3D2D | 0.71 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.7 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.75 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.72 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.83 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.72 | |
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 | 0.81 |