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Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM433085
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
1.59±n/a nM
Citation
 Mitchell, LH; Bell, AS; Chesworth, R; Foley, MA; Kuntz, KW; Mills, JE; Munchhof, MJ Substituted piperidine compounds US Patent  US10577363 Publication Date 3/3/2020 
Target
Name:
Histone-lysine N-methyltransferase SMYD3
Synonyms:
SET and MYND domain-containing protein 3 | SMYD3 | SMYD3_HUMAN | ZMYND1 | ZNFN3A1 | Zinc finger MYND domain-containing protein 1
Type:
Enzyme
Mol. Mass.:
49101.22
Organism:
Homo sapiens (Human)
Description:
Q9H7B4-2
Residue:
428
Sequence:
MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWKWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEECDANIRAS
  
Inhibitor
Name:
BDBM433085
Synonyms:
N-((1R,3R,5S)-8-(((1r,4R)-4- aminocyclohexyl)sulfonyl)-8- azabicyclo[3.2.1]octan-3-yl)-5- ethylisoxazole-3-carboxamide | US10577363, Compound 789
Type:
Small organic molecule
Emp. Form.:
C19H30N4O4S
Mol. Mass.:
410.531
SMILES:
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@H](N)CC1 |r,wU:15.18,12.19,21.23,wD:10.10,24.27,TLB:18:17:14.13:11.10.16,(9.81,.1,;8.47,-.67,;7.14,.1,;5.68,-.38,;4.77,.87,;5.68,2.11,;7.14,1.64,;3.23,.87,;2.46,2.2,;2.46,-.47,;.92,-.47,;.25,-1.86,;-1.25,-2.2,;-2.45,-1.24,;-2.45,.3,;-1.25,1.26,;.25,.92,;-2.11,-.32,;-3.65,-.32,;-3.65,1.22,;-3.65,-1.86,;-5.19,-.32,;-5.96,-1.66,;-7.5,-1.66,;-8.27,-.32,;-9.81,-.32,;-7.5,1.01,;-5.96,1.01,)|
Structure:
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