SEQ2FUN

BioLiP

PDB CCD ID: 0X7
Number of entries in BioLiP: 2
Chemical formula: C13 H14 N4 O
InChI: InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)8-17-13-11(12(14)18)15-6-7-16-13/h2-7H,8H2,1H3,(H2,14,18)(H,16,17)
InChIKey: RDJWFRDXOMNSOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1CNc2c(nccn2)C(=O)N
CACTVS 3.385Cc1ccccc1CNc2nccnc2C(N)=O
Name:3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
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).