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BioLiP

PDB CCD ID: ORM
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Cl2 N2 O3 S
InChI: InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKey: KNMHYCCVNWINHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl
CACTVS 3.385CC(C)N[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
ACDLabs 12.01C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl
Name:2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
ChEMBL: CHEMBL4454026
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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