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BioLiP Library

PDB CCD ID: 6BK
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H
InChIKey: KXPQYWKYYDYOCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O
ACDLabs 12.01Oc1cc(ccc1O)C2=CC(=O)c3c(O2)cccc3O
CACTVS 3.385Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2
Name:2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
ChEMBL: CHEMBL243677
ZINC: ZINC000000039317
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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