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BioLiP

PDB CCD ID: JWE
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Br F N4
InChI: InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
InChIKey: KARJFNUGCLEZKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F
CACTVS 3.385Nc1ncc(Br)c2ccc(nc12)c3ccnc(F)c3
Name:5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine
ChEMBL: CHEMBL4471729
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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