SEQ2FUN

BioLiP

PDB CCD ID: A1CI9
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N3 O
InChI: InChI=1S/C14H15N3O/c1-10(2)11-3-5-12(6-4-11)17-14(18)13-9-15-7-8-16-13/h3-10H,1-2H3,(H,17,18)
InChIKey: REPKUXPMFWYVDC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(C)c1ccc(cc1)NC(=O)c2cnccn2
CACTVS 3.385CC(C)c1ccc(NC(=O)c2cnccn2)cc1
ACDLabs 14.52O=C(Nc1ccc(cc1)C(C)C)c1cnccn1
Name:N-[4-(propan-2-yl)phenyl]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).