Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00545428
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 |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.7 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.78 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.74 | |
3B6 | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.71 | |
B68 | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.8 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.72 | |
B67 | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.8 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.8 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.8 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.8 | |
BIQ | BENZYL [12-(2-AMINO-2-OXOETHYL)- 4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]- 2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA- 1(19),3(22),4,6,17,20-HEXAEN-9- YL]CARBAMATE | H,V | 2GPL | 0.71 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.83 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | B | 2FS4 | 0.71 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.71 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.71 | |
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 | 0.72 | |
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 | 0.72 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.76 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.73 |