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BioLiP

PDB CCD ID: COU
Number of entries in BioLiP: 19
Chemical formula: C9 H6 O2
InChI: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(=O)O2
ACDLabs 10.04O=C2Oc1ccccc1C=C2
CACTVS 3.341O=C1Oc2ccccc2C=C1
Name:COUMARIN;
2H-1-BENZOPYRAN-2-ONE
ChEMBL: CHEMBL6466
DrugBank: DB04665
ZINC: ZINC000000074709
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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