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BioLiP

PDB CCD ID: 1V3
Number of entries in BioLiP: 1
Chemical formula: C15 H9 Cl O2
InChI: InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey: IFNDLWHUYFSXBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl
ACDLabs 12.01Clc2ccc1OC(=CC(=O)c1c2)c3ccccc3
Name:6-chloro-2-phenyl-4H-chromen-4-one
ChEMBL: CHEMBL293478
ZINC: ZINC000000058093
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).
  • 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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