SEQ2FUN

BioLiP

PDB CCD ID: EH1
Number of entries in BioLiP: 2
Chemical formula: C13 H16 O2
InChI: InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
InChIKey: QCIWHVKGVVQHIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CCCCC2)C(=O)O
ACDLabs 12.01C1(CCCCC1)c2ccc(C(=O)O)cc2
CACTVS 3.385OC(=O)c1ccc(cc1)C2CCCCC2
Name:4-cyclohexylbenzoic acid
ChEMBL: CHEMBL3593500
ZINC: ZINC000001715188
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).