Ligand
Ligand Name:   PCM-0102372
Ligand Type:   non-polymer
Ligand ID:   COVPDB1351 PubChem:   2002581
Synonym(s):  
  •   zinc2404827
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=S1(=O)C[C@H](C=C1)N(C(=O)CCl)c2ccccc2
Standard InChI:   InChI=1S/C12H12ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-7,11H,8-9H2/t11-/m0/s1
Molecular Formula:   C12H12ClNO3S Mol. Weight:   285.02264 logP:   1.5691
HBD:   0 HBA:   3
#Rotatable Bonds:   3 TPSA:   54.45

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) 5RFG T6V
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