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BioLiP

PDB CCD ID: 0F3
Number of entries in BioLiP: 3
Chemical formula: C6 H9 N3 O4 S2
InChI: InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
InChIKey: VORWCQRDADUXEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)Nc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01O=S(=O)(N)c1ccc(NS(=O)(=O)N)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N
Name:4-(sulfamoylamino)benzenesulfonamide
ChEMBL: CHEMBL2164729
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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