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BioLiP

PDB CCD ID: SDA
Number of entries in BioLiP: 1
Chemical formula: C6 H6 Cl2 N2 O2 S
InChI: InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKey: DVZMRTJKNJKEGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N
CACTVS 3.341Nc1c(Cl)cc(cc1Cl)[S](N)(=O)=O
ACDLabs 10.04Clc1cc(cc(Cl)c1N)S(=O)(=O)N
Name:4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE
ChEMBL: CHEMBL70020
ZINC: ZINC000001255236
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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