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BioLiP

PDB CCD ID: TLD
Number of entries in BioLiP: 1
Chemical formula: C7 H8 S2
InChI: InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey: NIAAGQAEVGMHPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)S)S
CACTVS 3.341Cc1ccc(S)c(S)c1
ACDLabs 10.04Sc1ccc(cc1S)C
Name:4-methylbenzene-1,2-dithiol;
Toluene-3,4-dithiol
ZINC: ZINC000000391963
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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