BioLiP

PDB

BioLiP

PDB CCD ID:

A1JHV

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O3 S

InChI:

InChI=1S/C9H8N2O3S/c1-4-5(2)15-9-10-3-6(8(13)14)7(12)11(4)9/h3H,1-2H3,(H,13,14)

InChIKey:

NTILPFUDSBFNQU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C
CACTVS 3.385	CC1=C(C)N2C(=NC=C(C(O)=O)C2=O)S1

Name:

2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

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).