SEQ2FUN

BioLiP

PDB CCD ID: 9KQ
Number of entries in BioLiP: 4
Chemical formula: C16 H11 N5
InChI: InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H
InChIKey: PNPWQEYBCDBCSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4
ACDLabs 12.01n1c(nc(c2ccccc12)n3cnnc3)c4ccccc4
Name:2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
ChEMBL: CHEMBL3988703
ZINC: ZINC000008726387
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).