Ligand
Ligand Name:   C4Z inhibitor
Ligand Type:   peptide-like
Ligand ID:   COVPDB26 PubChem:   71571222
Synonym(s):  
  •   chembl2316337
  • chebi:149875
  • bdbm50489171
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2316337
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)OCc1ccccc1
Standard InChI:   InChI=1S/C27H40N6O6/c1-16(2)13-21(25(36)31-20(14-28)11-12-22(29)34)32-26(37)23(17(3)4)33-24(35)18(5)30-27(38)39-15-19-9-7-6-8-10-19/h6-10,16-18,20-21,23H,11-13,15H2,1-5H3,(H2,29,34)(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,20-,21-,23-/m0/s1
Molecular Formula:   C27H40N6O6 Mol. Weight:   544.3009 logP:   1.24688
HBD:   5 HBA:   7
#Rotatable Bonds:   15 TPSA:   192.51

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1a P0C6U8 (R1A_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 3VB5 0JU
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