Covpdb









Ligand
Ligand Name:   1-phenyl-2-propen-1-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB931 PubChem:   13028
Synonym(s):  
  •   1-phenylprop-2-en-1-one
  • acrylophenone
  • 768-03-6
  • 3-oxo-3-phenylpropene
  • phenyl vinyl ketone
  • 2-propenophenone
  • ethylene, benzoyl-
  • vinyl phenyl ketone
  • phenylvinylketone
  • phenylvinyl ketone
  • 2-propen-1-one, 1-phenyl-
  • acetophenone, 2-methylene-
  • ketone, phenyl vinyl
  • nsc 174109
  • unii-o4qwf7v5aa
  • o4qwf7v5aa
  • chembl3099615
  • mfcd00457275
  • einecs 212-190-4
  • brn 0635987
  • acryloylbenzene
  • benzoylethylene
  • 1-phenylpropa-1,2-dien-1-ol
  • acrylophenone (8ci)
  • pubchem19662
  • poly(vinyl phenyl ketone)
  • 1-phenyl-1-oxo-2-propene
  • wln: 1u1vr
  • schembl38134
  • 1-phenyl-prop-2-en-1-one
  • 4-07-00-00995 (beilstein handbook reference)
  • schembl13158915
  • schembl18428678
  • dtxsid30227607
  • zinc1702416
  • 1968ac
  • bdbm50444877
  • nsc174109
  • akos006239796
  • 2-propen-1-one, 1-phenyl- (9ci)
  • as07048
  • ne61852
  • nsc-174109
  • ak109451
  • bs-13325
  • ft-0727567
  • en300-66663
  • 768p036
  • j-505095
  • q20707278
show 49 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3099615
Canonical SMILES:   C=CC(=O)c1ccccc1
Standard InChI:   InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
Molecular Formula:   C9H8O Mol. Weight:   132.05751 logP:   2.0553
HBD:   0 HBA:   1
#Rotatable Bonds:   2 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Aldehyde dehydrogenase, dimeric NADP-preferring P30838 (AL3A1_HUMAN) Homo sapiens (Human) 3SZB I1E IC50 : 12000 nM PDBBind SHOW