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Target
Glycogen phosphorylase, brain form
Ligand
BDBM50473940
Substrate
n/a
Meas. Tech.
ChEMBL_70996 (CHEMBL680572)
Ki
31.6±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:
BDBM50473940
Synonyms:
CHEMBL335077
Type:
Small organic molecule
Emp. Form.:
C27H33N3O5
Mol. Mass.:
479.568
SMILES:
CC(C)C[C@H](N[C@@H](CCc1ccccc1)C1OO1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C1OO1
Structure:
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