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BioLiP Library

PDB CCD ID: 4HC
Number of entries in BioLiP: 5
Chemical formula: C9 H6 O3
InChI: InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey: VXIXUWQIVKSKSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2Oc1ccccc1C(O)=C2
CACTVS 3.341OC1=CC(=O)Oc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=CC(=O)O2)O
Name:4-HYDROXY-2H-CHROMEN-2-ONE;
4-HYDROXY-1-BENZOPYRAN-2-ONE;
4-HYDROXYCOUMARIN
ChEMBL: CHEMBL301141
DrugBank: DB03410
ZINC: ZINC000018154848
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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