Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01437979
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 |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A | 3FQL | 0.71 | |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A,B | 3FQK | 0.71 | |
RYU | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.71 | |
AAF | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.72 | |
BSD | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.71 | |
MUV | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 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 | 0.72 | |
MSI | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.84 | |
757 | A,B,C | 3DM6 | 0.72 | ||
I03 | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.7 | |
792 | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan | A,B,C,D | 3G42 | 0.7 | |
MUI | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0A | 0.8 | |
2CA | BENZOFURAN-2-CARBOXYLIC ACID {(S)- 3-METHYL-1-[3-OXO-1-(PYRIDIN-2- YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | A,B | 1NLJ | 0.73 | |
GWI | N-({4-[({4-chloro-2-[(3-chloro- 5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]- 3-methylphenyl}sulfonyl)propanamide | A | 3DOL | 0.74 | |
PI9 | A,B | 1D4L | 0.73 | ||
GWJ | 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}- N-(2-methyl-4-sulfamoylphenyl)acetamide | A | 3DOK | 0.74 | |
712 | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.72 | |
598 | 6-{[1-(BENZYLSULFONYL)PIPERIDIN- 4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2- B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID | A | 2B07 | 0.71 | |
FUN | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2- FURYLMETHYL)AMINO]BENZOIC ACID | A | 1Z9Y | 0.77 | |
35B | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZMM | 0.71 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.84 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.71 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.71 | |
VR1 | (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]- 4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2- YL}AMINO)-2-(4-FLUOROPHENYL)-N- [(4-NITROPHENYL)SULFONYL]ACETAMIDE | A,B | 2O5D | 0.72 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.72 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.71 | |
GWE | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DMJ | 0.71 | |
GWE | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DLG | 0.71 | |
GWE | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DM2 | 0.71 | |
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 | 0.7 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.71 | |
ILI | N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY- 7-METHYL-1-(PYRIDIN-2-YLSULFONYL)- 2,3,4,7-TETRAHYDRO-1H-AZEPIN-4- YL]AMINO}CARBONYL)-3-METHYLBUTYL]- 1-BENZOFURAN-2-CARBOXAMIDE | A,B | 2FTD | 0.72 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.71 | |
MUT | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0D | 0.79 | |
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 | 0.7 | |
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 | 0.7 | |
JPR | 1-(3-chloro-4-methylphenyl)-3-{2- [({5-[(dimethylamino)methyl]-2- furyl}methyl)thio]ethyl}urea | A | 2JPR | 0.72 |