BioLiP

PDB

BioLiP

PDB CCD ID:

BGK

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O
CACTVS 3.385	O=Cc1ccc(Oc2sc3cccnc3n2)cc1

Name:

4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).