Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00438018
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 |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.71 | |
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 | 0.75 | |
A5T | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G70 | 0.72 | |
REN | (S)-reticuline | A | 3FWA | 0.7 | |
REN | (S)-reticuline | A | 3D2D | 0.7 | |
JP1 | N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE- 4-CARBOXAMIDE | A,B | 1ZXL | 0.71 | |
TN3 | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE | A,B | 1ZXB | 0.72 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.71 | |
D56 | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.7 | |
F1M | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(4-sulfamoylphenoxy)acetamide | A | 2ZJM | 0.77 | |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITZ | 0.74 | |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITO | 0.74 | |
IRE | 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY- 6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN- 4(1H)-YLIDENE]ANILINE | A | 2ITY | 0.74 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.76 | |
F1N | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | A | 2ZJN | 0.76 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.7 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.71 | |
A6T | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G72 | 0.72 | |
DPD | A,B | 1QIW | 0.77 | ||
DPD | A | 1QIV | 0.77 | ||
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.73 | |
A7T | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6- dichloro-4-methylphenoxy)ethoxy]phenyl}- N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non- 6-ene-6-carboxamide | A,B | 3G6Z | 0.73 |