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BioLiP

PDB CCD ID: C6Z
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S
CACTVS 3.385Sc1ccc(Cc2ccc(Cl)cc2Cl)nn1
Name:6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol
ZINC: ZINC000003052260
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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