BioLiP

PDB

BioLiP

PDB CCD ID:

A1EGD

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3 S

InChI:

InChI=1S/C8H9N3S/c1-4-2-5(9)7-6(3-4)12-8(10)11-7/h2-3H,9H2,1H3,(H2,10,11)

InChIKey:

ATMSLSAMHWYQBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c2c(c1)sc(n2)N)N
CACTVS 3.385	Cc1cc(N)c2nc(N)sc2c1

Name:

6-methyl-1,3-benzothiazole-2,4-diamine

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).