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Target
Glycogen [starch] synthase, muscle
Ligand
BDBM50527391
Substrate
n/a
Meas. Tech.
ChEMBL_1902577 (CHEMBL4404799)
IC50
13700±n/a nM
Citation
 Tang, B; Frasinyuk, MS; Chikwana, VM; Mahalingan, KK; Morgan, CA; Segvich, DM; Bondarenko, SP; Mrug, GP; Wyrebek, P; Watt, DS; DePaoli-Roach, AA; Roach, PJ; Hurley, TD Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase. J Med Chem 63:3538-3551 (2020) [PubMed]  Article
Target
Name:
Glycogen [starch] synthase, muscle
Synonyms:
GYS | GYS1 | GYS1_HUMAN | Glycogen [starch] synthase, muscle | Glycogen synthase (GYS1) | Muscle glycogen synthase
Type:
Enzyme
Mol. Mass.:
83779.52
Organism:
Homo sapiens (Human)
Description:
P13807
Residue:
737
Sequence:
MPLNRTLSMSSLPGLEDWEDEFDLENAVLFEVAWEVANKVGGIYTVLQTKAKVTGDEWGDNYFLVGPYTEQGVRTQVELLEAPTPALKRTLDSMNSKGCKVYFGRWLIEGGPLVVLLDVGASAWALERWKGELWDTCNIGVPWYDREANDAVLFGFLTTWFLGEFLAQSEEKPHVVAHFHEWLAGVGLCLCRARRLPVATIFTTHATLLGRYLCAGAVDFYNNLENFNVDKEAGERQIYHRYCMERAAAHCAHVFTTVSQITAIEAQHLLKRKPDIVTPNGLNVKKFSAMHEFQNLHAQSKARIQEFVRGHFYGHLDFNLDKTLYFFIAGRYEFSNKGADVFLEALARLNYLLRVNGSEQTVVAFFIMPARTNNFNVETLKGQAVRKQLWDTANTVKEKFGRKLYESLLVGSLPDMNKMLDKEDFTMMKRAIFATQRQSFPPVCTHNMLDDSSDPILTTIRRIGLFNSSADRVKVIFHPEFLSSTSPLLPVDYEEFVRGCHLGVFPSYYEPWGYTPAECTVMGIPSISTNLSGFGCFMEEHIADPSAYGIYILDRRFRSLDDSCSQLTSFLYSFCQQSRRQRIIQRNRTERLSDLLDWKYLGRYYMSARHMALSKAFPEHFTYEPNEADAAQGYRYPRPASVPPSPSLSRHSSPHQSEDEEDPRNGPLEEDGERYDEDEEAAKDRRNIRAPEWPRRASCTSSTSGSKRNSVDTATSSSLSTPSEPLSPTSSLGEERN
  
Inhibitor
Name:
BDBM50527391
Synonyms:
CHEMBL4557551
Type:
Small organic molecule
Emp. Form.:
C16H9Cl2F3N2O3
Mol. Mass.:
405.155
SMILES:
Oc1ccc(-c2n[nH]c(c2-c2ccc(Cl)c(Cl)c2)C(F)(F)F)c(O)c1O
Structure:
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