Covpdb









Ligand
Ligand Name:   Cm-FF-H
Ligand Type:   peptide-like
Ligand ID:   COVPDB1296 PubChem:   154732700
Synonym(s):  
  •   jm5b01461, compound 44
  • bdbm429086
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1C[C@@H](C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3
Standard InChI:   InChI=1S/C27H26N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,20,24-25H,18-19H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1
Molecular Formula:   C27H26N2O3 Mol. Weight:   426.19434 logP:   3.3537
HBD:   2 HBA:   3
#Rotatable Bonds:   10 TPSA:   75.27

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) 3SN8 S89 Ki : 2240 nM PDBBind SHOW