SEQ2FUN

BioLiP

PDB CCD ID: JLA
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N O2
InChI: InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKey: DGJNUESQBVPXAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)O)N2CCCCC2
ACDLabs 12.01C1CCN(CC1)c2ccc(C(=O)O)cc2
CACTVS 3.385OC(=O)c1ccc(cc1)N2CCCCC2
Name:4-(piperidin-1-yl)benzoic acid
ChEMBL: CHEMBL1500396
ZINC: ZINC000000239446
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).