Covpdb









Ligand
Ligand Name:   TG-0205486
Ligand Type:   peptide-like
Ligand ID:   COVPDB1508 PubChem:   129662165
Synonym(s):  
  •   n-[(benzyloxy)carbonyl]-o-t-butylthreonyl-n-[(1s,2e)-4-cyclopropyl-4-oxo-1-[[(3s)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-l-leucinamide
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)C2CC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc3ccccc3
Standard InChI:   InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14-15,21-22,24-27,29H,12-13,16-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/b15-14+/t22-,25+,26-,27+,29+/m1/s1
Molecular Formula:   C34H50N4O7 Mol. Weight:   626.3679 logP:   3.5622
HBD:   4 HBA:   7
#Rotatable Bonds:   16 TPSA:   151.93

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0C6X7 (R1AB_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 2ZU5 ZU5 Ki : 99 nM PDBBind SHOW