Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM293379
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
4490±n/a nM
Citation
 Foley, MA; Kuntz, KW; Mitchell, LH; Munchhof, MJ Substituted isoxazoles for treating cancer US Patent  US10106510 Publication Date 10/23/2018 
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:
BDBM293379
Synonyms:
N-((1r,4r)-4-(3- aminopropanamido) cyclohcxyl)-5- cyclopropyl-N- isobutylisoxazole-3- carboxamide | US10106510, Compound 43
Type:
Small organic molecule
Emp. Form.:
C20H32N4O3
Mol. Mass.:
376.4931
SMILES:
CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
Structure:
Search PDB for entries with ligand similarity: