Reaction Details Report a problem with these data
Target
N-lysine methyltransferase SMYD2
Ligand
BDBM50554181
Substrate
n/a
Meas. Tech.
ChEMBL_2048576 (CHEMBL4703275)
IC50
24±n/a nM
Citation
 Zhang, B; Liao, L; Wu, F; Zhang, F; Sun, Z; Chen, H; Luo, C Synthesis and structure-activity relationship studies of LLY-507 analogues as SMYD2 inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
N-lysine methyltransferase SMYD2
Synonyms:
HSKM-B | Histone methyltransferase SMYD2 | KMT3C | Lysine N-methyltransferase 3C | N-lysine methyltransferase SMYD2 | SET and MYND domain-containing protein 2 | SET and MYND domain-containing protein 2 (SMYD2) | SMYD2 | SMYD2_HUMAN
Type:
Enzyme
Mol. Mass.:
49689.57
Organism:
Homo sapiens (Human)
Description:
Q9NRG4
Residue:
433
Sequence:
MRAEGLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLGFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH
  
Inhibitor
Name:
BDBM50554181
Synonyms:
CHEMBL4747370
Type:
Small organic molecule
Emp. Form.:
C32H37Cl2N5O2
Mol. Mass.:
594.574
SMILES:
Clc1ccc(CCC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: