SEQ2FUN

BioLiP

PDB CCD ID: W6E
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N6
InChI: InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16)
InChIKey: BRODMNADNZNYMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cnc(nc2cc1c3cnn[nH]3)N
CACTVS 3.385Nc1ncc2ccc(cc2n1)c3[nH]nnc3
Name:7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine
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).