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BioLiP

PDB CCD ID: U7Z
Number of entries in BioLiP: 1
Chemical formula: C18 H18 Cl N3 O4 S
InChI: InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26)
InChIKey: ZWAGEDFCAJXKDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl
Name:4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide;
4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative
ChEMBL: CHEMBL4632436

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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