SEQ2FUN

BioLiP

PDB CCD ID: A1CFG
Number of entries in BioLiP: 1
Chemical formula: C11 H11 F N2 O
InChI: InChI=1S/C11H11FN2O/c12-10-4-2-1-3-9(10)7-14-6-5-13-11(15)8-14/h1-5H,6-8H2
InChIKey: CFVZNWNMKVRFMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)CN2CC=NC(=O)C2)F
ACDLabs 14.52Fc1ccccc1CN1CC=NC(=O)C1
CACTVS 3.385Fc1ccccc1CN2CC=NC(=O)C2
Name:4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-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).