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Target
Glycogen phosphorylase, brain form
Ligand
BDBM50057731
Substrate
n/a
Meas. Tech.
ChEMBL_70996 (CHEMBL680572)
Ki
15800±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:
BDBM50057731
Synonyms:
(2-Carbamoyl-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-carbamic acid methyl ester | CHEMBL133097
Type:
Small organic molecule
Emp. Form.:
C9H16N2O8
Mol. Mass.:
280.2319
SMILES:
COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Structure:
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