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BioLiP

PDB CCD ID: KBM
Number of entries in BioLiP: 1
Chemical formula: C16 H11 Cl O3
InChI: InChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3
InChIKey: SVQLTYVFAXKBMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl
CACTVS 3.352COc1ccc2oc(cc2c1)C(=O)c3ccc(Cl)cc3
Name:(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone
ZINC: ZINC000000150564
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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