Ligand
Ligand Name:   (3R,3aR,6aS)-3-(prop-2-en-1-yl)-hexahydro-2H-cyclopenta[b]furan-2-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB83 PubChem:   10820951
Synonym(s):  
  •   chembl100672
  • bdbm50072282
  • (3r,3ar,6as)-3-allyl-hexahydro-cyclopenta[b]furan-2-one
  • (3r)-3alpha-allyl-3,3aalpha,4,5,6,6abeta-hexahydro-2h-cyclopenta[b]furan-2-one
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL100672
Canonical SMILES:   C=CC[C@@H](C(=O)O1)[C@H]([C@@H]12)CCC2
Standard InChI:   InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1
Molecular Formula:   C10H14O2 Mol. Weight:   166.09938 logP:   1.9042
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 2A P08419 (CEL2A_PIG) Sus scrofa (Pig) 1BRU 1NB
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