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Target
Glycogen phosphorylase, muscle form
Ligand
BDBM50454689
Substrate
n/a
Meas. Tech.
ChEMBL_70989 (CHEMBL680567)
Ki
1995262±n/a nM
Citation
 Pastor, M; Cruciani, G; Watson, KA A strategy for the incorporation of water molecules present in a ligand binding site into a three-dimensional quantitative structure--activity relationship analysis. J Med Chem 40:4089-102 (1998) [PubMed]  Article 
Target
Name:
Glycogen phosphorylase, muscle form
Synonyms:
Glycogen phosphorylase, muscle form | Muscle glycogen phosphorylase | Myophosphorylase | PYGM | PYGM_HUMAN
Type:
PROTEIN
Mol. Mass.:
97097.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1449751
Residue:
842
Sequence:
MSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKISGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGHVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRILVDLERMDWDKAWDVTVRTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEVIAERIGEDFISDLDQLRKLLSFVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDIQVKRIHEYKRQLLNCLHVITLYNRIKREPNKFFVPRTVMIGGKAAPGYHMAKMIIRLVTAIGDVVNHDPAVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDKLDQRGYNAQEYYDRIPELRQVIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEDYIKCQEKVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEAI
  
Inhibitor
Name:
BDBM50454689
Synonyms:
CHEMBL336829
Type:
Small organic molecule
Emp. Form.:
C12H22O10S
Mol. Mass.:
358.362
SMILES:
OCC1OC(OC[C@H]2O[C@H](O)C(S)[C@@H](O)[C@@H]2O)C(O)C(O)C1O
Structure:
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