Ligand
Ligand Name:   PCM-0102142
Ligand Type:   non-polymer
Ligand ID:   COVPDB1406 PubChem:   4961670
Synonym(s):  
  •   zinc4204724
  • akos000117412
  • mcule-2481187134
  • ne58392
  • upcmld0enat5314407:001
  • en300-11652
  • 796106-52-0
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NNC(=O)c(s1)cc(c12)CCCC2
Standard InChI:   InChI=1S/C11H13ClN2O2S/c12-6-10(15)13-14-11(16)9-5-7-3-1-2-4-8(7)17-9/h5H,1-4,6H2,(H,13,15)(H,14,16)
Molecular Formula:   C11H13ClN2O2S Mol. Weight:   272.03864 logP:   1.6267
HBD:   2 HBA:   3
#Rotatable Bonds:   2 TPSA:   58.2

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) 5RGM U1D
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