SEQ2FUN

BioLiP

PDB CCD ID: UCH
Number of entries in BioLiP: 3
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKey: UISWRUUBFFHGLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1N2CCC(CC2)C(=O)O
CACTVS 3.385OC(=O)C1CCN(CC1)c2ccncc2
Name:1-pyridin-4-ylpiperidine-4-carboxylic acid
ZINC: ZINC000004482410

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).