BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3L

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O S

InChI:

InChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-5H,(H,10,11)

InChIKey:

LMYBMQXKKKIWQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cnc1)C2=CSC(=O)N2
CACTVS 3.385	O=C1NC(=CS1)c2cccnc2

Name:

4-pyridin-3-yl-3~{H}-1,3-thiazol-2-one

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).