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BioLiP

PDB CCD ID: SXL
Number of entries in BioLiP: 1
Chemical formula: C11 H9 F2 N O4 S
InChI: InChI=1S/C11H9F2NO4S/c1-6-4-10(15)18-9-5-7(2-3-8(6)9)11(12,13)19(14,16)17/h2-5H,1H3,(H2,14,16,17)
InChIKey: BRYCUJLUILOXAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=CC(=O)Oc2c1ccc(c2)C(F)(F)S(=O)(=O)N
CACTVS 3.385CC1=CC(=O)Oc2cc(ccc12)C(F)(F)[S](N)(=O)=O
Name:bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
ChEMBL: CHEMBL198891
ZINC: ZINC000084611188
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)(download the PDF file).
  • 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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