Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03173335
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 |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.84 | |
0E2 | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R,2R)-2-hydroxy-1-{[(3R)-2- oxopyrrolidin-3-yl]methyl}propyl]- L-leucinamide | A | 2Z3C | 0.73 | |
161 | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.72 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.74 | |
0EZ | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.72 | |
3FC | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]- 1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)- 1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3- YL)AMINO]ACETYL}PENTYLCARBAMATE | A | 1YT7 | 0.72 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.74 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.78 | |
3CB | N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- 5-IMINOORNITHINAMIDE | H,L | 1WSS | 0.71 | |
0E3 | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}propyl]-L-leucinamide | A | 2Z3C | 0.75 | |
197 | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.76 | |
0PN | N-[(benzyloxy)carbonyl]-L-valyl- L-alanyl-N~5~-[amino(iminio)methyl]- L-ornithyl-L-serine | A | 3G8F | 0.73 | |
316 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3- oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIC | 0.73 | |
3FL | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.7 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.7 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.75 | |
318 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5- oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CID | 0.71 | |
314 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.72 | |
485 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.71 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3C | 0.73 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A | 2P3D | 0.73 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3B | 0.73 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3A | 0.73 |