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BioLiP

PDB CCD ID: N59
Number of entries in BioLiP: 1
Chemical formula: C23 H21 Cl F N3 O4 S
InChI: InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30)
InChIKey: FMGVTNRFSIQSCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)N2CCN(CC2)c3ccc(cc3NS(=O)(=O)c4cccc(c4)F)C(=O)O
CACTVS 3.385OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1
Name:4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid
ZINC: ZINC000032961714
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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