Ligand
Ligand Name:   PCM-0102615
Ligand Type:   non-polymer
Ligand ID:   COVPDB1339 PubChem:   51889847
Synonym(s):  
  •   zinc37654139
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Fc1ccc(cc1)[C@H]2CN(CCO2)C(=O)CCl
Standard InChI:   InChI=1S/C12H13ClFNO2/c13-7-12(16)15-5-6-17-11(8-15)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2/t11-/m1/s1
Molecular Formula:   C12H13ClFNO2 Mol. Weight:   257.0619 logP:   1.9644
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   29.54

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 5RER T3J
-
-
SHOW