Ligand |
||
 | ||
| Ligand Name: M4Z inhibitor | ||
| Ligand Type: peptide-like | ||
| Ligand ID: COVPDB27 | PubChem: 71571220 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: CHEMBL2316339 | |
| Canonical SMILES: NC(=O)CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c1cc(C)on1 | ||
| Standard InChI: InChI=1S/C24H37N7O6/c1-12(2)9-17(22(34)28-16(11-25)7-8-19(26)32)29-24(36)20(13(3)4)30-21(33)15(6)27-23(35)18-10-14(5)37-31-18/h10,12-13,15-17,20H,7-9H2,1-6H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,36)(H,30,33)/t15-,16-,17-,20-/m0/s1 | ||
| Molecular Formula: C24H37N7O6 | Mol. Weight: 519.2805 | logP: 0.0469 |
| HBD: 5 | HBA: 8 | |
| #Rotatable Bonds: 14 | TPSA: 209.31 | |