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BioLiP

PDB CCD ID: 6LH
Number of entries in BioLiP: 5
Chemical formula: C7 H10 N2 O2 S
InChI: InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKey: TYMRLRRVMHJFTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(ccc1CN)S(=O)(=O)N
CACTVS 3.385NCc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01S(c1ccc(CN)cc1)(=O)(N)=O
Name:4-(aminomethyl)benzene-1-sulfonamide
ChEMBL: CHEMBL419
DrugBank: DB06795
ZINC: ZINC000000001644
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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