BDBM28434 2-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)amino)acetamide::AdoMet substrate analogue, 17f
SMILES: CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(N)=O
InChI Key: InChIKey=IRWBMXVMEDHEJW-FRJWGUMJSA-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 |
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S-adenosylmethionine decarboxylase 1 (Homo sapiens (Human)) | BDBM28434 (2-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
Cornell University | Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec... | J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |