SEQ2FUN

BioLiP

PDB CCD ID: A1IS2
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N3
InChI: InChI=1S/C14H13N3/c1-9-13(10(2)17-16-9)12-7-3-5-11-6-4-8-15-14(11)12/h3-8H,1-2H3,(H,16,17)
InChIKey: GYFCQCULMGSZEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]nc(C)c1c2cccc3cccnc23
OpenEye OEToolkits 2.0.7Cc1c(c(n[nH]1)C)c2cccc3c2nccc3
Name:8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
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).