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BioLiP

PDB CCD ID: W4U
Number of entries in BioLiP: 2
Chemical formula: C12 H13 Cl O2
InChI: InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKey: QJNFJEMGWIQMJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C2(CCCC2)C(=O)O)Cl
CACTVS 3.385OC(=O)C1(CCCC1)c2ccc(Cl)cc2
Name:1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
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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