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BioLiP Library

PDB CCD ID: ZI9
Number of entries in BioLiP: 1
Chemical formula: C16 H9 F2 N3 O2 S
InChI: InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
InChIKey: SCUOMBYZGFZRIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N)F
CACTVS 3.385NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F
Name:3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
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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