SEQ2FUN

BioLiP

PDB CCD ID: A1B7R
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N4
InChI: InChI=1S/C18H14N4/c1-12-6-7-17(20-10-12)18-15(11-21-22-18)13-8-9-19-16-5-3-2-4-14(13)16/h2-11H,1H3,(H,21,22)
InChIKey: ISYGNOQTBQSKET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc(nc1)c2c(c[nH]n2)c3ccnc4c3cccc4
ACDLabs 14.52Cc1cnc(cc1)c1n[NH]cc1c1ccnc2ccccc21
CACTVS 3.385Cc1ccc(nc1)c2n[nH]cc2c3ccnc4ccccc34
Name:(4M)-4-[3-(5-methylpyridin-2-yl)-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).