Ligand
Ligand Name:   Papain-like protease peptide inhibitor VIR250
Ligand Type:   peptide-like
Ligand ID:   COVPDB637 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COC(=O)\C=C\CNC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](CCc1nc2ccccc2s1)NC(C)=O
Standard InChI:   InChI=1S/C23H30N6O6S/c1-14(30)27-16(9-10-20-28-15-6-3-4-7-18(15)36-20)23(34)29-17(12-24)22(33)26-13-19(31)25-11-5-8-21(32)35-2/h3-8,16-17H,9-13,24H2,1-2H3,(H,25,31)(H,26,33)(H,27,30)(H,29,34)/b8-5+/t16-,17-/m0/s1
Molecular Formula:   C23H30N6O6S Mol. Weight:   518.19476 logP:   -0.8613
HBD:   5 HBA:   9
#Rotatable Bonds:   13 TPSA:   181.61

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab Q98VG9 (R1AB_FIPV) Feline coronavirus (strain FIPV WSU-79/1146) (FCoV) 4ZRO CEV
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