Ligand

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Ligand Name:   3,5,7,3',4'-PENTAHYDROXYFLAVONE
HET ID:   QUE PubChem:   5280343
DrugBank:   DB04216 ChEMBL:   CHEMBL50
Canonical SMILES:   Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Standard InChI:   InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
Molecular Formula:   C15H10O7 Mol. Weight:   302.2357 Heavy Atoms:   22
Charge:   0 Is Chiral:   False logP:   1.988
HBD:   5 HBA:   7 TPSA:   131.36
#Bonds:   24 #Rotatable Bonds:   1 Shape Complexity:   0.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Xanthine dehydrogenase/oxidase P80457 (XDH_BOVIN) Bos taurus 3NVY
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