BioLiP

PDB

BioLiP

PDB CCD ID:

RK9

Number of entries in BioLiP:

Chemical formula:

C14 H14 N4 O3 S2

InChI:

InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19)

InChIKey:

AUZRVQWOOJLPJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1
CACTVS 3.385	CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2cccc(c2)C#N
OpenEye OEToolkits 2.0.7	CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2cccc(c2)C#N)C

Name:

N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide

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).