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BioLiP

PDB CCD ID: UWU
Number of entries in BioLiP: 2
Chemical formula: C15 H9 Cl O3
InChI: InChI=1S/C15H9ClO3/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,17H
InChIKey: TUQNFQUMZKUALD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl
CACTVS 3.385Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl
ACDLabs 12.01Clc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3
Name:6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
ZINC: ZINC000000146729
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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