BioLiP

PDB

BioLiP

PDB CCD ID:

JAE

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 S

InChI:

InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

InChIKey:

FAYAYUOZWYJNBD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1N)scn2
CACTVS 3.385	Nc1ccc2ncsc2c1

Name:

1,3-benzothiazol-6-amine

ZINC:

ZINC000000332484

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).