SEQ2FUN

BioLiP

PDB CCD ID: A1IGS
Number of entries in BioLiP: 0
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKey: NGECHVBQXAJIFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1[C@H]2CC(=O)NC2
OpenEye OEToolkits 2.0.7c1cnccc1C2CC(=O)NC2
CACTVS 3.385O=C1C[C@@H](CN1)c2ccncc2
CACTVS 3.385O=C1C[CH](CN1)c2ccncc2
Name:(4R)-4-pyridin-4-ylpyrrolidin-2-one
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).