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BioLiP

PDB CCD ID: QA9
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N4 O2 S
InChI: InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey: BRBKOPJOKNSWSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1N)S(=O)(=O)NC(=N)N
CACTVS 3.385NC(=N)N[S](=O)(=O)c1ccc(N)cc1
OpenEye OEToolkits 3.1.0.0[H]/N=C(/N)\NS(=O)(=O)c1ccc(cc1)N
Name:1-(4-aminophenyl)sulfonylguanidine
ChEMBL: CHEMBL338802
DrugBank: DB13726
ZINC: ZINC000003873927
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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