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BioLiP

PDB CCD ID: X7C
Number of entries in BioLiP: 2
Chemical formula: C12 H5 Cl F2 N2 S
InChI: InChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H
InChIKey: GXXFOBBMWYBHKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)F)c2c(cc3c(n2)ncs3)Cl)F
CACTVS 3.385Fc1cccc(F)c1c2nc3ncsc3cc2Cl
Name:5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine
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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