BioLiP

PDB

BioLiP

PDB CCD ID:

C6Z

Number of entries in BioLiP:

Chemical formula:

C11 H8 Cl2 N2 S

InChI:

InChI=1S/C11H8Cl2N2S/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16)

InChIKey:

AOKAGOZDKVLYMU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S
CACTVS 3.385	Sc1ccc(Cc2ccc(Cl)cc2Cl)nn1

Name:

6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol

ZINC:

ZINC000003052260

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).