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BioLiP

PDB CCD ID: F6B
Number of entries in BioLiP: 2
Chemical formula: C14 H12 F2 N2 O3 S
InChI: InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKey: ZFNCKGXGCCDDFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cccc2F
Name:N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
DrugBank: DB03844
ZINC: ZINC000003591119
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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