BDBM50206817 (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-((hydroxy(hydroxy(phosphonooxy)phosphoryloxy)phosphoryloxy)methyl)tetrahydrofuran-3-yl 2-(methylamino)benzoate::3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)::CHEMBL254869::MANT-ATP

SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=YAPJXKKTHXODSV-LSCFUAHRSA-N

Data  1 KI

PDB links: 2 PDB IDs match this monomer.

  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 1 hit for monomerid = 50206817   

TargetCalmodulin-sensitive adenylate cyclase(Bacillus anthracis)
Ernst-Moritz-Arndt-University

Curated by ChEMBL
LigandPNGBDBM50206817((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-...)
Affinity DataKi:  980nMAssay Description:Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed