BioLiP

PDB

BioLiP

PDB CCD ID:

LRF

Number of entries in BioLiP:

Chemical formula:

C8 H10 N4 O S

InChI:

InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)

InChIKey:

BCFQGXBWVPWHCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N#Cc1c(snc1C)N(C)CC(N)=O
OpenEye OEToolkits 2.0.7	Cc1c(c(sn1)N(C)CC(=O)N)C#N
CACTVS 3.385	CN(CC(N)=O)c1snc(C)c1C#N

Name:

N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide

ZINC:

ZINC000253415400

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).