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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calmodulin-sensitive adenylate cyclase (Bacillus anthracis) | BDBM50206817 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ernst-Moritz-Arndt-University Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay | Bioorg Med Chem Lett 20: 232-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.125 BindingDB Entry DOI: 10.7270/Q2CF9Q5V | |||||||||||
More data for this Ligand-Target Pair |