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BioLiP

PDB CCD ID: NXO
Number of entries in BioLiP: 2
Chemical formula: C19 H14 F N O3 S
InChI: InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2
InChIKey: ICOQPOKTWUAKMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2ccc(cc2)c3cccc4c3OS(=O)(=O)NC4)F
Name:8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
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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