SEQ2FUN

BioLiP

PDB CCD ID: A1ISZ
Number of entries in BioLiP: 2
Chemical formula: C13 H10 N4
InChI: InChI=1S/C13H10N4/c14-13-16-7-10(8-17-13)11-5-1-3-9-4-2-6-15-12(9)11/h1-8H,(H2,14,16,17)
InChIKey: LTRKOHDAXGVHHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc(cn1)c2cccc3cccnc23
OpenEye OEToolkits 2.0.7c1cc2cccnc2c(c1)c3cnc(nc3)N
Name:5-quinolin-8-ylpyrimidin-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).