Reaction Details Report a problem with these data
Target
Protein ENL
Ligand
BDBM50566881
Substrate
n/a
Meas. Tech.
ChEMBL_2101942 (CHEMBL4810338)
IC50
202±n/a nM
Citation
 Ma, XR; Xu, L; Xu, S; Klein, BJ; Wang, H; Das, S; Li, K; Yang, KS; Sohail, S; Chapman, A; Kutateladze, TG; Shi, X; Liu, WR; Wen, H Discovery of Selective Small-Molecule Inhibitors for the ENL YEATS Domain. J Med Chem 64:10997-11013 (2021) [PubMed]  Article 
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:
BDBM50566881
Synonyms:
CHEMBL4874295
Type:
Small organic molecule
Emp. Form.:
C18H19N5O
Mol. Mass.:
321.3764
SMILES:
O=C(NCc1cccc(CN2CCC2)c1)c1ccc2nncn2c1
Structure:
Search PDB for entries with ligand similarity: