SEQ2FUN

BioLiP

PDB CCD ID: A1EJV
Number of entries in BioLiP: 2
Chemical formula: C15 H9 Cl F N5 O
InChI: InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23)
InChIKey: MKTDTVNSMKCRFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O
OpenEye OEToolkits 2.0.7c1cc(c2c(c1C3=C(C(=O)Nc4c3ncc(c4)Cl)N)cn[nH]2)F
Name:3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one
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).