Ligand |
||
 | ||
| Ligand Name: (2S,3S)-N-[(2-cyanopyrimidin-4-yl)methyl]-2-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetamido]-3-methylpentanamide | ||
| Ligand Type: peptide-like | ||
| Ligand ID: COVPDB187 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1cc(cc(Cl)c1)[C@@H](N(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc2ccnc(n2)C#N | ||
| Standard InChI: InChI=1S/C22H26Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-10,13,19-20H,5,12H2,1-4H3,(H,27,31)(H,29,32)/t13-,19-,20+/m0/s1 | ||
| Molecular Formula: C22H26Cl2N6O2 | Mol. Weight: 476.14944 | logP: 3.10508 |
| HBD: 2 | HBA: 6 | |
| #Rotatable Bonds: 9 | TPSA: 111.01 | |