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BioLiP

PDB CCD ID: QTG
Number of entries in BioLiP: 1
Chemical formula: C10 H14 F N O2 S
InChI: InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3
InChIKey: LGSOITBLNVRJPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCN[S](=O)(=O)c1ccc(F)cc1C
ACDLabs 12.01c1c(c(cc(c1)F)C)S(NCCC)(=O)=O
OpenEye OEToolkits 2.0.7CCCNS(=O)(=O)c1ccc(cc1C)F
Name:4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide
ChEMBL: CHEMBL4644614
ZINC: ZINC000016319730
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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