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BioLiP

PDB CCD ID: 7Y3
Number of entries in BioLiP: 5
Chemical formula: C7 H5 Br N2 O2 S2
InChI: InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
InChIKey: MLRBBGFHILYDBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnn(c1)S(=O)(=O)c2ccc(s2)Br
CACTVS 3.385Brc1sc(cc1)[S](=O)(=O)n2cccn2
Name:1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
ChEMBL: CHEMBL1605637
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)(download the PDF file).
  • 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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