BioLiP

PDB

BioLiP

PDB CCD ID:

O0J

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O S

InChI:

InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)

InChIKey:

VBBNSESFUHRMJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(cc1)c2csc(N)n2
ACDLabs 12.01	Nc2nc(c1ccc(cc1)NC(C)=O)cs2
OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)c2csc(n2)N

Name:

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide

ZINC:

ZINC000000058195

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).