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BioLiP

PDB CCD ID: FSB
Number of entries in BioLiP: 2
Chemical formula: C14 H13 F N2 O3 S
InChI: InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKey: ULYMHSXFSKOHGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
ACDLabs 12.01c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F
Name:N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
DrugBank: DB02069
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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