BioLiP

PDB

BioLiP

PDB CCD ID:

U9C

Number of entries in BioLiP:

Chemical formula:

C13 H12 N4 S

InChI:

InChI=1S/C13H12N4S/c14-8-1-3-9(4-2-8)16-10-5-6-11-12(7-10)18-17-13(11)15/h1-7,16H,14H2,(H2,15,17)

InChIKey:

FECJVFNLOHROBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1N)Nc2ccc3c(c2)snc3N
CACTVS 3.385	Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1

Name:

~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-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).