Reaction Details Report a problem with these data
Target
Protein ENL
Ligand
BDBM50459745
Substrate
n/a
Meas. Tech.
ChEMBL_2253823 (CHEMBL5168033)
Ki
1.4±n/a nM
Citation
 Yuan, Y; Du, L; Tan, R; Yu, Y; Jiang, J; Yao, A; Luo, J; Tang, R; Xiao, Y; Sun, H Design, Synthesis, and Biological Evaluations of DOT1L Peptide Mimetics Targeting the Protein-Protein Interactions between DOT1L and MLL-AF9/MLL-ENL. J Med Chem 65:7770-7785 (2022) [PubMed] 
Target
Name:
Protein ENL
Synonyms:
ENL | ENL_HUMAN | LTG19 | MLLT1 | Protein ENL | YEATS domain-containing protein 1 | YEATS1
Type:
PROTEIN
Mol. Mass.:
62068.50
Organism:
Homo sapiens
Description:
ChEMBL_118046
Residue:
559
Sequence:
MDNQCTVQVRLELGHRAQLRKKPTTEGFTHDWMVFVRGPEQCDIQHFVEKVVFWLHDSFPKPRRVCKEPPYKVEESGYAGFIMPIEVHFKNKEEPRKVCFTYDLFLNLEGNPPVNHLRCEKLTFNNPTTEFRYKLLRAGGVMVMPEGADTVSRPSPDYPMLPTIPLSAFSDPKKTKPSHGSKDANKESSKTSKPHKVTKEHRERPRKDSESKSSSKELEREQAKSSKDTSRKLGEGRLPKEEKAPPPKAAFKEPKMALKETKLESTSPKGGPPPPPPPPPRASSKRPATADSPKPSAKKQKKSSSKGSRSAPGTSPRTSSSSSFSDKKPAKDKSSTRGEKVKAESEPREAKKALEVEESNSEDEASFKSESAQSSPSNSSSSSDSSSDSDFEPSQNHSQGPLRSMVEDLQSEESDEDDSSSGEEAAGKTNPGRDSRLSFSDSESDNSADSSLPSREPPPPQKPPPPNSKVSGRRSPESCSKPEKILKKGTYDKAYTDELVELHRRLMALRERNVLQQIVNLIEETGHFNVTNTTFDFDLFSLDETTVRKLQSCLEAVAT
  
Inhibitor
Name:
BDBM50459745
Synonyms:
CHEMBL4210431
Type:
Small organic molecule
Emp. Form.:
C40H70N8O9
Mol. Mass.:
807.032
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r|
Structure:
Search PDB for entries with ligand similarity: