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BioLiP

PDB CCD ID: 258
Number of entries in BioLiP: 1
Chemical formula: C8 H9 Cl O
InChI: InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: VQUYNUJARXBNPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ether
CACTVS 3.341ClCCOc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)OCCCl
Name:(2-chloroethoxy)benzene
ZINC: ZINC000001587815
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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