BioLiP

PDB

BioLiP

PDB CCD ID:

G7B

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O2 S

InChI:

InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)

InChIKey:

FFVMFJPYEKSYFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
OpenEye OEToolkits 2.0.6	CC(=O)c1csc(n1)NC(=O)C(C)(C)N

Name:

2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide

ChEMBL:

CHEMBL4649595

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).