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Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM321294
Substrate
n/a
Meas. Tech.
SMYD3 Enzyme Assays on MEKK2 Protein Substrate
IC50
>10000±n/a nM
Citation
 Chesworth, R; Foley, MA; Kuntz, KW; Mitchell, LH; Petter, JC; Schwartz, CE Isoxazole carboxamides as irreversible SMYD inhibitors US Patent  US10669243 Publication Date 6/2/2020 
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:
BDBM321294
Synonyms:
5-cyclopropyl-N-((1s,4s)-4- (vinylsulfonamido)cyclohexyl) isoxazole-3-carboxamide | US10179773, Compound 8 | US10669243, Compound 8
Type:
Small organic molecule
Emp. Form.:
C15H21N3O4S
Mol. Mass.:
339.41
SMILES:
C=CS(=O)(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wD:9.12,6.5,(-8.62,1.5,;-7.29,.73,;-5.96,1.5,;-6.73,2.83,;-5.19,.16,;-4.62,2.27,;-3.29,1.5,;-1.95,2.27,;-.62,1.5,;-.62,-.04,;-1.95,-.81,;-3.29,-.04,;.71,-.81,;2.05,-.04,;2.05,1.5,;3.38,-.81,;4.84,-.34,;5.75,-1.58,;4.84,-2.83,;3.38,-2.35,;7.29,-1.58,;8.62,-.81,;8.62,-2.35,)|
Structure:
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