BioLiP

PDB

BioLiP

PDB CCD ID:

A1AKJ

Number of entries in BioLiP:

Chemical formula:

C11 H7 N3 O3 S

InChI:

InChI=1S/C11H7N3O3S/c15-10-7-8(13-11(16)14(10)17)12-9(18-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16)

InChIKey:

YJJAOPVQZWSUDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ON1C(=O)Nc2nc(sc2C1=O)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nc3c(s2)C(=O)N(C(=O)N3)O
ACDLabs 12.01	O=C1c2sc(nc2NC(=O)N1O)c1ccccc1

Name:

6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

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).