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BioLiP

PDB CCD ID: KWB
Number of entries in BioLiP: 2
Chemical formula: C13 H15 O3
InChI: InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1
InChIKey: GZEPXNUXMPYSOQ-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1C([O-])=O)C2CCCCC2
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
ACDLabs 12.01[O-]C(=O)c1cc(ccc1O)C2CCCCC2
Name:5-cyclohexyl-2-hydroxybenzoate
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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