BioLiP

PDB

BioLiP

PDB CCD ID:

8BK

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O2 S

InChI:

InChI=1S/C11H10N2O2S/c12-11(14)8-1-3-9(4-2-8)15-6-10-5-13-7-16-10/h1-5,7H,6H2,(H2,12,14)

InChIKey:

QVXUTHMJYRUHJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=O)N)OCc2cncs2
CACTVS 3.385	NC(=O)c1ccc(OCc2scnc2)cc1

Name:

4-(1,3-thiazol-5-ylmethoxy)benzamide

ChEMBL:

CHEMBL5185078

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).