SEQ2FUN

BioLiP

PDB CCD ID: AN5
Number of entries in BioLiP: 6
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c11-6-2-1-5-10(13)9-4-3-7-12-8-9/h3-4,7-8H,1-2,5-6,11H2
InChIKey: GSEJHUSUJYZWBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NCCCCC(=O)c1cccnc1
OpenEye OEToolkits 1.6.1c1cc(cnc1)C(=O)CCCCN
ACDLabs 10.04O=C(c1cccnc1)CCCCN
Name:5-amino-1-pyridin-3-ylpentan-1-one
ChEMBL: CHEMBL1199970
ZINC: ZINC000001634366
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).