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BioLiP

PDB CCD ID: BGK
Number of entries in BioLiP: 1
Chemical formula: C13 H8 N2 O2 S
InChI: InChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H
InChIKey: MIXDMADWNWRCQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O
CACTVS 3.385O=Cc1ccc(Oc2sc3cccnc3n2)cc1
Name:4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
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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