BioLiP

PDB

BioLiP

PDB CCD ID:

SXQ

Number of entries in BioLiP:

Chemical formula:

C11 H6 Cl2 N4 O S

InChI:

InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)

InChIKey:

DYBIDXYUMDMCON-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl
CACTVS 3.385	Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl

Name:

3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one

ChEMBL:

CHEMBL5070478

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).