Covpdb









Ligand
Ligand Name:   2-Methylenetetralone
Ligand Type:   non-polymer
Ligand ID:   COVPDB1210 PubChem:   377751
Synonym(s):  
  •   nsc659342
  • 2-methylenetetralin-1-one
  • 13203-73-1
  • 2-methylene-3,4-dihydro-1(2h)-naphthalenone
  • 1(2h)-naphthalenone, 3,4-dihydro-2-methylene-
  • methylenetetralone
  • 2-methylene-1-tetralone
  • 2-methylidene-3,4-dihydronaphthalen-1-one
  • chembl188064
  • schembl1739155
  • dtxsid20327483
  • zinc1637075
  • nsc-659342
  • 2-methylene-3,4-dihydronaphthalen-1-one
  • nci60_020967
  • 2-methylene-3,4-dihydro-naphthalen-1-one
  • 2-methylene-3,4-dihydro-2h-naphthalen-1-one
show 16 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL188064
Canonical SMILES:   O=C1C(=C)CCc(c12)cccc2
Standard InChI:   InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5H,1,6-7H2
Molecular Formula:   C11H10O Mol. Weight:   158.07317 logP:   2.3717
HBD:   0 HBA:   1
#Rotatable Bonds:   0 TPSA:   17.07

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) 6YNQ P6N
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