SEQ2FUN

BioLiP

PDB CCD ID: A1JGE
Number of entries in BioLiP: 2
Chemical formula: C13 H9 N3
InChI: InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H
InChIKey: KMEWEQWECBYQNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cnc(n2)c3cccnc3
CACTVS 3.385c1ccc2nc(ncc2c1)c3cccnc3
Name:2-pyridin-3-ylquinazoline
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).