Reaction Details Report a problem with these data
Target
Glycogen phosphorylase, muscle form
Ligand
BDBM50350693
Substrate
n/a
Meas. Tech.
ChEMBL_762684 (CHEMBL1817502)
IC50
5900±n/a nM
Citation
 Habash, M; Taha, MO Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads. Bioorg Med Chem 19:4746-71 (2011) [PubMed]  Article 
Target
Name:
Glycogen phosphorylase, muscle form
Synonyms:
Glycogen Phosphorylase (PYGM) | Glycogen phosphorylase a (RMGPa) | Glycogen phosphorylase, muscle form | Myophosphorylase | PYGM | PYGM_RABIT
Type:
Enzyme
Mol. Mass.:
97296.32
Organism:
Oryctolagus cuniculus (rabbit)
Description:
Phosphorylation of Ser-15 converts phosphorylase B (unphosphorylated) to phosphorylase A.
Residue:
843
Sequence:
MSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEKIP
  
Inhibitor
Name:
BDBM50350693
Synonyms:
CHEMBL128249
Type:
Small organic molecule
Emp. Form.:
C14H9Cl2F3N4O2S2
Mol. Mass.:
457.278
SMILES:
Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nnc2c(cc(Cl)cn12)C(F)(F)F
Structure:
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