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BioLiP Library

PDB CCD ID: G1Z
Number of entries in BioLiP: 0
Chemical formula: C14 H14 F3 N3 O2 S
InChI: InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2
InChIKey: NFTFZGDVDRYPDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
OpenEye OEToolkits 2.0.6c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F
Name:8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
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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