BioLiP

PDB

BioLiP

PDB CCD ID:

WUM

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 S

InChI:

InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)

InChIKey:

HYQAPLLDHDEUSD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)Cc1csc(n1)N
CACTVS 3.385	CN(C)Cc1csc(N)n1
ACDLabs 12.01	CN(C)Cc1nc(sc1)N

Name:

4-[(dimethylamino)methyl]-1,3-thiazol-2-amine

ZINC:

ZINC000001605296

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).