Reaction Details Report a problem with these data
Target
Protein AF-9
Ligand
BDBM50459735
Substrate
n/a
Meas. Tech.
ChEMBL_1767019 (CHEMBL4202266)
Ki
57±n/a nM
Citation
 Du, L; Grigsby, SM; Yao, A; Chang, Y; Johnson, G; Sun, H; Nikolovska-Coleska, Z Peptidomimetics for Targeting Protein-Protein Interactions between DOT1L and MLL Oncofusion Proteins AF9 and ENL. ACS Med Chem Lett 9:895-900 (2018) [PubMed]  Article 
Target
Name:
Protein AF-9
Synonyms:
AF9 | AF9_HUMAN | ALL1-fused gene from chromosome 9 protein | MLLT3 | Myeloid/lymphoid or mixed-lineage leukemia translocated to chromosome 3 protein | Protein AF-9 | YEATS domain-containing protein 3 | YEATS3
Type:
PROTEIN
Mol. Mass.:
63368.78
Organism:
Homo sapiens
Description:
ChEMBL_118006
Residue:
568
Sequence:
MASSCAVQVKLELGHRAQVRKKPTVEGFTHDWMVFVRGPEHSNIQHFVEKVVFHLHESFPRPKRVCKDPPYKVEESGYAGFILPIEVYFKNKEEPRKVRFDYDLFLHLEGHPPVNHLRCEKLTFNNPTEDFRRKLLKAGGDPNRSIHTSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSTSFSKPHKLMKEHKEKPSKDSREHKSAFKEPSRDHNKSSKESSKKPKENKPLKEEKIVPKMAFKEPKPMSKEPKPDSNLLTITSGQDKKAPSKRPPISDSEELSAKKRKKSSSEALFKSFSSAPPLILTCSADKKQIKDKSHVKMGKVKIESETSEKKKSTLPPFDDIVDPNDSDVEENISSKSDSEQPSPASSSSSSSSSFTPSQTRQQGPLRSIMKDLHSDDNEEESDEVEDNDNDSEMERPVNRGGSRSRRVSLSDGSDSESSSASSPLHHEPPPPLLKTNNNQILEVKSPIKQSKSDKQIKNGECDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
  
Inhibitor
Name:
BDBM50459735
Synonyms:
CHEMBL4216170
Type:
Small organic molecule
Emp. Form.:
C45H69N9O6
Mol. Mass.:
832.0861
SMILES:
CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C(C)C)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: