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BioLiP Library

PDB CCD ID: XCZ
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N3 O2 S
InChI: InChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKey: WXLNVTKRXIXEJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccnc(n1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6Cc1ccnc(n1)S(=O)(=O)N
Name:1.7.6 4-methylpyrimidine-2-sulfonamide
ZINC: ZINC000039053917
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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