Ligand
Ligand Name:   3-METHOXY-4-CHLORO-7-AMINOISOCOUMARIN
Ligand Type:   non-polymer
Ligand ID:   COVPDB941 PubChem:   12324866
Synonym(s):  
  •   62252-30-6
  • 1h-2-benzopyran-1-one, 7-amino-4-chloro-3-ethoxy-
  • chembl345266
  • schembl4263980
  • dtxsid10489281
  • 7-amino-4-chloro-3-ethoxyisocoumarin
  • 3-ethoxy-4-chloro-7-aminoisocoumarin
  • 7-amino-4-chloro-3-ethoxy-1h-2-benzopyran-1-one
  • 7-amino-4-chloro-3-ethoxyisochromen-1-one
show 8 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL345266
Canonical SMILES:   CCOc(oc1=O)c(Cl)c(c12)ccc(c2)N
Standard InChI:   InChI=1S/C11H10ClNO3/c1-2-15-11-9(12)7-4-3-6(13)5-8(7)10(14)16-11/h3-5H,2,13H2,1H3
Molecular Formula:   C11H10ClNO3 Mol. Weight:   239.03493 logP:   2.4273
HBD:   1 HBA:   4
#Rotatable Bonds:   2 TPSA:   65.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 1JIM ICU
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