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BioLiP

PDB CCD ID: Y4L
Number of entries in BioLiP: 1
Chemical formula: C8 H11 Cl N2 O2 S
InChI: InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
InChIKey: KDRCAWRLJXSNGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)S(=O)(=O)Nc1ccc(cc1)Cl
ACDLabs 12.01Clc1ccc(NS(=O)(=O)N(C)C)cc1
CACTVS 3.385CN(C)[S](=O)(=O)Nc1ccc(Cl)cc1
Name:((4-Chlorophenyl)sulfamoyl))dimethylamine
ZINC: ZINC000005718118
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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