BioLiP

PDB

BioLiP

PDB CCD ID:

DW9

Number of entries in BioLiP:

Chemical formula:

C14 H10 N4 O2 S4

InChI:

InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18)

InChIKey:

XDXRDEHCMLKIGN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O
CACTVS 3.385	Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1

Name:

2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol

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).