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BioLiP

PDB CCD ID: 4SO
Number of entries in BioLiP: 6
Chemical formula: C7 H7 N O4 S
InChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChIKey: UCAGLBKTLXCODC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)O)cc1
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1C(=O)O)S(=O)(=O)N
Name:4-sulfamoylbenzoic acid
ChEMBL: CHEMBL414
ZINC: ZINC000000001099
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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