Covpdb









Ligand
Ligand Name:   GR24
Ligand Type:   non-polymer
Ligand ID:   COVPDB1188 PubChem:   3036799
Synonym(s):  
  •   gr 24
  • 76974-79-3
  • (+)-epi-gr-24
  • chembl4286026
  • schembl13974737
  • zinc33753817
  • (3e,3ar,8bs)-3-[[(2s)-4-methyl-5-oxo-2h-furan-2-yl]oxymethylidene]-4,8b-dihydro-3ah-indeno[1,2-b]furan-2-one
  • 2h-indeno(1,2-b)furan-2-one, 3-((((2r)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,8b-tetrahydro-, (3e,3ar,8bs)-rel-
show 7 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4286026
Canonical SMILES:   CC1=C[C@H](OC1=O)O/C=C(/C(=O)O2)[C@H]([C@H]23)Cc4c3cccc4
Standard InChI:   InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14+,15-/m1/s1
Molecular Formula:   C17H14O5 Mol. Weight:   298.08414 logP:   2.1865
HBD:   0 HBA:   5
#Rotatable Bonds:   2 TPSA:   61.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Strigolactone esterase D14 Q10QA5 (D14_ORYSJ) Oryza sativa subsp. japonica (Rice) 4IHA OPL
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