SEQ2FUN

BioLiP

PDB CCD ID: C1R
Number of entries in BioLiP: 5
Chemical formula: C9 H17 N O
InChI: InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2
InChIKey: HADYAKDSDIXWOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=CCCCC1CCNCC1
OpenEye OEToolkits 1.5.0C1CNCCC1CCCC=O
Name:4-PIPERIDINEBUTYRATE;
4-PIPERIDIN-4-YLBUTANAL
DrugBank: DB04654
ZINC: ZINC000012504451
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).