SEQ2FUN

BioLiP

PDB CCD ID: A1JRF
Number of entries in BioLiP: 2
Chemical formula: C23 H17 F N6 O
InChI: InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)
InChIKey: LIOLIMKSCNQPLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5
CACTVS 3.385CNC(=O)c1ccc(cc1F)c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2
Name:Capmatinib;
2-fluoranyl-~{N}-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
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).