SEQ2FUN

BioLiP

PDB CCD ID: FI9
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N3 O2
InChI: InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)
InChIKey: PBJCAAQZCVURJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
OpenEye OEToolkits 2.0.7C1CN(CCC1N)C(=O)C2=CNC(=O)C=C2
Name:5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
ChEMBL: CHEMBL5203226
ZINC: ZINC000036753452

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).