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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM498719
Substrate
n/a
Meas. Tech.
Biochemical Assay
Ki
1.96±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:
BDBM498719
Synonyms:
(1S,3R)-3-(3-{[(2- methylpyridin-4- yl)acetyl]amino}-1H-pyrazol-5- yl)cyclopentyl (cis-4- hydroxycyclohexyl)carbamate | US11014911, Example 544 | US11718603, Example 544
Type:
Small organic molecule
Emp. Form.:
C23H31N5O4
Mol. Mass.:
441.5233
SMILES:
Cc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)ccn1 |r,wU:22.23,25.27,wD:16.19,13.13,(12.54,-1.21,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-9.87,1.21,;-11.21,.44,;-11.21,-1.1,;-12.54,-1.87,;-9.87,-1.87,;-8.54,-1.1,;8.54,1.1,;9.87,1.87,;11.21,1.1,)|
Structure:
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