Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00973050
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 |
C60 | [[[3-(2-METHYL-PROPANE-2-SULFONYL)- 1-BENZENYL]-2-PROPYL]-CARBONYL- HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]- [2-HYDROXY-4-ISOPROPYL]-PENTAN- 5-OIC ACID BUTYLAMIDE | A | 1RNE | 0.73 | |
IZ1 | N-[(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-(4-phenyl-1H-imidazol-2-yl)ethyl]- 3-(trifluoromethyl)benzenesulfonamide | A | 2VEU | 0.73 | |
MIM | [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL- 1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]- SERYL]-LYSINYL]-AMINE | A | 2NMT | 0.7 | |
MIM | [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL- 1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]- SERYL]-LYSINYL]-AMINE | A,B | 1IYK | 0.7 | |
D13 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.72 | |
ED5 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2- methylphenyl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E37 | 0.73 | |
1BN | 1-BENZYL-1H-IMIDAZOLE | A,B | 2AFX | 0.73 | |
IH3 | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID [4-(2-AMINO-3H- IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE | 2,3 | 1C4Y | 0.71 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.72 | |
IH4 | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL) | A | 2BJU | 0.71 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.71 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.71 | |
IZ5 | N-{(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-[4-(3-phenylpropyl)-1H-imidazol- 2-yl]ethyl}-3-fluorobenzenesulfonamide | A | 2VEY | 0.73 | |
ED2 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 1-methyl-1H-imidazole-4-sulfonamide | B | 3E32 | 0.75 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.72 | |
IZ2 | N-[(1S)-1-(4-benzyl-1H-imidazol- 2-yl)-2-{4-[(5S)-1,1-dioxido-3- oxoisothiazolidin-5-yl]phenyl}ethyl]- 3-(trifluoromethyl)benzenesulfonamide | A | 2VEV | 0.72 | |
ED7 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 2-methylbenzenesulfonamide | B | 3E33 | 0.72 | |
ED4 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1- methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E30 | 0.75 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.73 | |
632 | 2-(5-BENZYLAMINO-2-METHYLSULFANYL- 6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO- 1-(THIAZOLE-2-CARBONYL)-BUTYL]- ACETAMIDE | A | 1ZTJ | 0.71 |