Reaction Details Report a problem with these data
Target
Adenylate kinase isoenzyme 1
Ligand
BDBM50277565
Substrate
n/a
Meas. Tech.
ChEMBL_502057 (CHEMBL981268)
IC50
>500000±n/a nM
Citation
 Dang, Q; Brown, BS; Liu, Y; Rydzewski, RM; Robinson, ED; van Poelje, PD; Reddy, MR; Erion, MD Fructose-1,6-bisphosphatase inhibitors. 1. Purine phosphonic acids as novel AMP mimics. J Med Chem 52:2880-98 (2009) [PubMed]  Article 
Target
Name:
Adenylate kinase isoenzyme 1
Synonyms:
AK1 | KAD1_RABIT
Type:
PROTEIN
Mol. Mass.:
21643.19
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_502057
Residue:
194
Sequence:
MEEKLKKAKIIFVVGGPGSGKGTQCEKIVHKYGYTHLSTGDLLRAEVSSGSARGKKLSEIMEKGQLVPLETVLDMLRDAMVAKADTSKGFLIDGYPRQVQQGEEFERRIAQPTLLLYVDAGPETMQKRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYEKRGIVRKVNAEGSVDNVFSQVCTHLDALK
  
Inhibitor
Name:
BDBM50277565
Synonyms:
5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylphosphonic acid | CHEMBL482735 | {5-[6-Amino-9-(2,2-dimethyl-propyl)-9H-purin-8-yl]-furan-2-yl}-phosphonic Acid
Type:
Small organic molecule
Emp. Form.:
C14H18N5O4P
Mol. Mass.:
351.2976
SMILES:
CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: