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BioLiP

PDB CCD ID: F2B
Number of entries in BioLiP: 2
Chemical formula: C14 H12 F2 N2 O3 S
InChI: InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKey: QASSMVGOSBNFQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
ACDLabs 10.04Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
Name:N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
DrugBank: DB07742
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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