Ligand |
||
 | ||
| Ligand Name: B4Z inhibitor | ||
| Ligand Type: peptide-like | ||
| Ligand ID: COVPDB25 | PubChem: 71571221 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: CHEMBL2316338 | |
| 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)OC(C)(C)C | ||
| Standard InChI: InChI=1S/C24H42N6O6/c1-13(2)11-17(21(33)28-16(12-25)9-10-18(26)31)29-22(34)19(14(3)4)30-20(32)15(5)27-23(35)36-24(6,7)8/h13-17,19H,9-11H2,1-8H3,(H2,26,31)(H,27,35)(H,28,33)(H,29,34)(H,30,32)/t15-,16-,17-,19-/m0/s1 | ||
| Molecular Formula: C24H42N6O6 | Mol. Weight: 510.3166 | logP: 0.84518 |
| HBD: 5 | HBA: 7 | |
| #Rotatable Bonds: 13 | TPSA: 192.51 | |