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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM498728
Substrate
n/a
Meas. Tech.
Biochemical Assay
Ki
1.90±n/a nM
Citation
 Behenna, DC; Freeman-Cook, KD; Hoffman, RL; Nagata, A; Ninkovic, S; Sutton, SC CDK2 inhibitors US Patent  US11014911 Publication Date 5/25/2021 
Target
Name:
Glycogen synthase kinase-3 beta
Synonyms:
GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B
Type:
Enzyme
Mol. Mass.:
46756.38
Organism:
Homo sapiens (Human)
Description:
P49841
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
  
Inhibitor
Name:
BDBM498728
Synonyms:
(1S,3R)-3-(3-{[(6- methoxypyridin-3- yl)acetyl]amino}-1H-pyrazol-5- yl)cyclopentyl (cis-4- hydroxycyclohexyl)carbamate | US11014911, Example 553 | US11718603, Example 553
Type:
Small organic molecule
Emp. Form.:
C23H31N5O5
Mol. Mass.:
457.5227
SMILES:
COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)cn1 |r,wU:24.25,27.29,wD:18.21,15.15,(13.21,1.1,;11.87,1.87,;10.54,1.1,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-10.54,1.21,;-11.87,.44,;-11.87,-1.1,;-13.21,-1.87,;-10.54,-1.87,;-9.2,-1.1,;7.87,1.1,;9.2,1.87,)|
Structure:
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