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BioLiP

PDB CCD ID: XED
Number of entries in BioLiP: 1
Chemical formula: C18 H20 F N3 O4
InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1
InChIKey: GSDSWSVVBLHKDQ-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
OpenEye OEToolkits 1.5.0CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O
ACDLabs 10.04Fc4cc1c2N(C=C(C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C
CACTVS 3.341C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
Name:DEXTROFLOXACINE
ChEMBL: CHEMBL420937
DrugBank: DB03034
ZINC: ZINC000000537891
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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