BioLiP

PDB

BioLiP

PDB CCD ID:

JA8

Number of entries in BioLiP:

Chemical formula:

C7 H5 Br N2 S

InChI:

InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)

InChIKey:

ZPUJTWBWSOOMRP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Br)nc(s2)N
CACTVS 3.385	Nc1sc2ccc(Br)cc2n1

Name:

5-bromanyl-1,3-benzothiazol-2-amine

ZINC:

ZINC000012959084

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).