Reaction Details Report a problem with these data
Target
Glycogen phosphorylase, brain form
Ligand
BDBM50473957
Substrate
n/a
Meas. Tech.
ChEMBL_70996 (CHEMBL680572)
Ki
158±n/a nM
Citation
 Gohlke, H; Klebe, G DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein. J Med Chem 45:4153-70 (2002) [PubMed]  Article 
Target
Name:
Glycogen phosphorylase, brain form
Synonyms:
Brain glycogen phosphorylase | Glycogen phosphorylase, brain form | PYGB | PYGB_HUMAN
Type:
PROTEIN
Mol. Mass.:
96699.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_70998
Residue:
843
Sequence:
MAKPLTDSEKRKQISVRGLAGLGDVAEVRKSFNRHLHFTLVKDRNVATPRDYFFALAHTVRDHLVGRWIRTQQHYYERDPKRIYYLSLEFYMGRTLQNTMVNLGLQNACDEAIYQLGLDLEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKIVNGWQVEEADDWLRYGNPWEKARPEYMLPVHFYGRVEHTPDGVKWLDTQVVLAMPYDTPVPGYKNNTVNTMRLWSAKAPNDFKLQDFNVGDYIEAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTCFETFPDKVAIQLNDTHPALSIPELMRILVDVEKVDWDKAWEITKKTCAYTNHTVLPEALERWPVSMFEKLLPRHLEIIYAINQRHLDHVAALFPGDVDRLRRMSVIEEGDCKRINMAHLCVIGSHAVNGVARIHSEIVKQSVFKDFYELEPEKFQNKTNGITPRRWLLLCNPGLADTIVEKIGEEFLTDLSQLKKLLPLVSDEVFIRDVAKVKQENKLKFSAFLEKEYKVKINPSSMFDVHVKRIHEYKRQLLNCLHVVTLYNRIKRDPAKAFVPRTVMIGGKAAPGYHMAKLIIKLVTSIGDVVNHDPVVGDRLKVIFLENYRVSLAEKVIPAADLSQQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGAENLFIFGLRVEDVEALDRKGYNAREYYDHLPELKQAVDQISSGFFSPKEPDCFKDIVNMLMHHDRFKVFADYEAYMQCQAQVDQLYRNPKEWTKKVIRNIACSGKFSSDRTITEYAREIWGVEPSDLQIPPPNIPRD
  
Inhibitor
Name:
BDBM50473957
Synonyms:
CHEMBL3351153
Type:
Small organic molecule
Emp. Form.:
C8H13N3O7
Mol. Mass.:
263.2047
SMILES:
NN1C(=O)N[C@@]2(O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: