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BioLiP

PDB CCD ID: 8K5
Number of entries in BioLiP: 2
Chemical formula: C8 H10 Cl N2 S
InChI: InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)/p+1
InChIKey: YOCWIHYZDHPSHD-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CSC(=[NH2+])N)Cl
CACTVS 3.385NC(=[NH2+])SCc1ccc(Cl)cc1
Name:[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
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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