SEQ2FUN

BioLiP

PDB CCD ID: BV7
Number of entries in BioLiP: 1
Chemical formula: C8 H15 N O2
InChI: InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)
InChIKey: AUYQMCCWFNSFGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CNCCC1CCC(=O)O
ACDLabs 12.01O=C(O)CCC1CCNCC1
CACTVS 3.385OC(=O)CCC1CCNCC1
Name:3-(4-piperidyl)propanoic acid
ChEMBL: CHEMBL110858
ZINC: ZINC000004204051
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).