BDBM19263 Tiazofurin Adenine Dinucleotide (TAD) Analogue, 33::[({[(2R,3S,4R,5R)-5-(6-amino-2-ethyl-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid

SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)c4nc(cs4)C(N)=O)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=VWGKSBAVRZYWGP-IIFVUBOQSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 19263   

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19263(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 33...)
Affinity DataKi:  1nM ΔG°:  -12.3kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19263(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 33...)
Affinity DataKi:  14nM ΔG°:  -10.7kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed