BioLiP

PDB

BioLiP

PDB CCD ID:

EWT

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl2 N3 O S

InChI:

InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)

InChIKey:

JOBYYAUGFMYSBN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
CACTVS 3.385	Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3

Name:

2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide

ChEMBL:

CHEMBL4458858

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).