Ligand
Ligand Name:   PCM-0102254
Ligand Type:   non-polymer
Ligand ID:   COVPDB1369 PubChem:   2497546
Synonym(s):  
  •   92513-17-2
  • 2-chloro-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
  • 2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
  • 1-(chloroacetyl)-4-(4-methoxyphenyl)piperazine
  • piperazine, 1-(chloroacetyl)-4-(4-methoxyphenyl)-
  • 2-chloro-1-[4-(4-methoxyphenyl)piperazinyl]ethan-1-one
  • 2-chloro-1-[4-(4-methoxy-phenyl)-piperazin-1-yl)-ethanone
  • acmc-20dyrm
  • schembl945994
  • dtxsid70368826
  • albb-013155
  • zinc3379383
  • bbl001475
  • hts007671
  • mfcd03553261
  • sbb012137
  • stk917368
  • akos000103158
  • mcule-3700648013
  • upcmld0enat5287910:001
  • bs-10289
  • r7767
  • st50272404
  • sr-01000325176
  • sr-01000325176-1
show 24 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc1ccc(cc1)N2CCN(CC2)C(=O)CCl
Standard InChI:   InChI=1S/C13H17ClN2O2/c1-18-12-4-2-11(3-5-12)15-6-8-16(9-7-15)13(17)10-14/h2-5H,6-10H2,1H3
Molecular Formula:   C13H17ClN2O2 Mol. Weight:   268.09787 logP:   1.5826
HBD:   0 HBA:   3
#Rotatable Bonds:   3 TPSA:   32.78

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) 5RFX T8P
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