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BDBM314789 (3aR,5S,6S,7R,7aR)-2- (dimethylamino)-5-((S)-1,1,1- trifluoro-2-methoxypropan-2-yl)- 5,6,7,7a-tetrahydro-3aH- pyrano[3,2-d]thiazole-6,7-diol (Faster eluting isomer by HPLC)::US9611275, Example 74

SMILES: CO[C@@](C)([C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C)C(F)(F)F

InChI Key: InChIKey=MATMWPJDCPNCOQ-GWMGTZGCSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 314789   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM314789
PNG
((3aR,5S,6S,7R,7aR)-2- (dimethylamino)-5-((S)-1,1,1...)
Show SMILES CO[C@@](C)([C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N(C)C)C(F)(F)F
Show InChI InChI=1S/C12H19F3N2O4S/c1-11(20-4,12(13,14)15)8-7(19)6(18)5-9(21-8)22-10(16-5)17(2)3/h5-9,18-19H,1-4H3/t5-,6-,7+,8+,9-,11+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.25E+3n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9611275 (2017)


BindingDB Entry DOI: 10.7270/Q2833V4D
More data for this
Ligand-Target Pair