Ligand

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Ligand Name:   BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
HET ID:   DTC PubChem:   17753965, 4474225
DrugBank:   DB04392 ChEMBL:   CHEMBL1232382
Canonical SMILES:   O=C1Oc2ccccc2C(=O)C1CC1C(=O)Oc2c(C1=O)cccc2
Standard InChI:   InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2
Molecular Formula:   C19H12O6 Mol. Weight:   336.29498 Heavy Atoms:   25
Charge:   0 Is Chiral:   True logP:   2.2127
HBD:   0 HBA:   6 TPSA:   86.74
#Bonds:   28 #Rotatable Bonds:   2 Shape Complexity:   0.15789473
Stereocomplexity:   0.10526316
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
NAD(P)H dehydrogenase [quinone] 1 P15559 (NQO1_HUMAN) Homo sapiens 5FUQ
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