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Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM433064
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
0.710±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:
BDBM433064
Synonyms:
5-cyclopropyl-N-((1R,3R,5S)-8-(((1R,4R)- 4-((2- hydroxyethyl)amino)cyclohexyl)sulfonyl)- 8-azabicyclo[3.2.1]octan-3-yl)isoxazole-3- carboxamide | US10577363, Compound 768
Type:
Small organic molecule
Emp. Form.:
C22H34N4O5S
Mol. Mass.:
466.594
SMILES:
OCCN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:4.3,17.18,14.14,wD:7.10,19.23,TLB:10:13:16.15:20.19.18,(-11.51,-2.65,;-10.74,-1.32,;-9.2,-1.32,;-8.43,.02,;-6.89,.02,;-6.12,1.35,;-4.58,1.35,;-3.81,.02,;-4.58,-1.32,;-6.12,-1.32,;-2.27,.02,;-2.27,1.56,;-2.27,-1.52,;-.62,.02,;.24,-1.75,;-.96,-.79,;-.96,.75,;.24,1.71,;1.74,1.37,;2.41,-.02,;1.74,-1.41,;3.95,-.02,;4.72,1.32,;3.95,2.65,;6.26,1.32,;7.17,.07,;8.63,.55,;8.63,2.09,;7.17,2.56,;9.97,-.22,;10.74,-1.56,;11.51,-.22,)|
Structure:
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