Ligand
Ligand Name:   PG-COV-42
Ligand Type:   non-polymer
Ligand ID:   COVPDB1424 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc1ccc(cn1)NC(=O)C2CCN(CC2)C(=O)CCl
Standard InChI:   InChI=1S/C14H18ClN3O3/c1-21-12-3-2-11(9-16-12)17-14(20)10-4-6-18(7-5-10)13(19)8-15/h2-3,9-10H,4-8H2,1H3,(H,17,20)
Molecular Formula:   C14H18ClN3O3 Mol. Weight:   311.10367 logP:   1.5061
HBD:   1 HBA:   4
#Rotatable Bonds:   4 TPSA:   71.53

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) 5RHE UPD
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