Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01104002
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 |
MZ4 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(3-METHOXYPHENYL)SULFONYL](2- THIENYLMETHYL)AMINO}PROPYL]-3,4- DIHYDROXYBENZAMIDE | A,B | 2QI1 | 0.71 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.71 | |
ZY3 | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.7 | |
J12 | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL- ACETYLAMINO)-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZK | 0.79 | |
VG4 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.71 | |
MZ3 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(3-METHOXYPHENYL)SULFONYL](2- THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO- 2-METHYLBENZAMIDE | A,B | 2QI0 | 0.71 | |
ILF | A | 2FPY | 0.73 | ||
527 | 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN- 4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBP | 0.7 | |
35B | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZMM | 0.73 | |
AXA | (5S)-5-(2-amino-2-oxoethyl)-4-oxo- N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin- 6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3- d]pyrimidine-2-carboxamide | A,B | 3DNG | 0.72 | |
ILC | A | 2FPV | 0.77 | ||
410 | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZN7 | 0.7 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.74 | |
B98 | (3R)-3-(aminomethyl)-9-methoxy- 1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2- e][1,4]diazepin-5-one | A | 3FZ1 | 0.75 | |
B98 | (3R)-3-(aminomethyl)-9-methoxy- 1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2- e][1,4]diazepin-5-one | X | 3FYK | 0.75 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.75 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.75 | |
11M | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen- 1-yl]carbonyl}spiro[1-benzofuran- 3,4'-piperidin]-5-yl)methanamine | A,B,C,D | 2ZEB | 0.74 | |
JPR | 1-(3-chloro-4-methylphenyl)-3-{2- [({5-[(dimethylamino)methyl]-2- furyl}methyl)thio]ethyl}urea | A | 2JPR | 0.72 |