SEQ2FUN

BioLiP

PDB CCD ID: TQU
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N5
InChI: InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2
InChIKey: GXRXDACPFFYIDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1N)c(ccn2)n3cncn3
ACDLabs 12.01n1ccc(c2cc(N)ccc12)n3ncnc3
CACTVS 3.370Nc1ccc2nccc(n3cncn3)c2c1
Name:4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
ChEMBL: CHEMBL3818493
ZINC: ZINC000095921350
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).