Ligand
Ligand Name:   7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
Ligand Type:   non-polymer
Ligand ID:   COVPDB379 PubChem:   10821453
Synonym(s):  
  •   7-methoxy-2-methylene-alpha-tetralone
  • chembl3337752
  • 2-methylene-7-methoxytetralin-1-one
  • 255376-44-4
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3337752
Canonical SMILES:   COc(cc1)cc(c12)C(=O)C(=C)CC2
Standard InChI:   InChI=1S/C12H12O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-7H,1,3-4H2,2H3
Molecular Formula:   C12H12O2 Mol. Weight:   188.08372 logP:   2.3803
HBD:   0 HBA:   2
#Rotatable Bonds:   1 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Methionine aminopeptidase C3TPN7 (C3TPN7_ECOLX) Escherichia coli 4PNC 7NP IC50 : 3700 nM PDBBind SHOW