BioLiP

PDB

BioLiP

PDB CCD ID:

EUK

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl2 N2 S2

InChI:

InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)

InChIKey:

MEVVEKKHDRENAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl

Name:

6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine

ChEMBL:

CHEMBL4439011

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).