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BioLiP

PDB CCD ID: BS8
Number of entries in BioLiP: 1
Chemical formula: C11 H8 F N5
InChI: InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)
InChIKey: AYORLAGKWMLGEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cncc(c1c2ccnc3c2[nH]c(n3)N)F
CACTVS 3.385Nc1[nH]c2c(ccnc2n1)c3ccncc3F
Name:7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine
ChEMBL: CHEMBL4561244
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).
  • 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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