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Target
Myc proto-oncogene protein/Protein max
Ligand
BDBM50520737
Substrate
n/a
Meas. Tech.
ChEMBL_1882034 (CHEMBL4383533)
IC50
8900±n/a nM
Citation
 Carabet, LA; Lallous, N; Leblanc, E; Ban, F; Morin, H; Lawn, S; Ghaidi, F; Lee, J; Mills, IG; Gleave, ME; Rennie, PS; Cherkasov, A Computer-aided drug discovery of Myc-Max inhibitors as potential therapeutics for prostate cancer. Eur J Med Chem 160:108-119 (2018) [PubMed]  Article 
Target
Name:
Myc proto-oncogene protein/Protein max
Synonyms:
c-Myc/Max
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1882034
Components:
This complex has 2 components.
Component 1
Name:
Myc proto-oncogene protein
Synonyms:
BHLHE39 | Class E basic helix-loop-helix protein 39 | MYC | MYC_HUMAN | Proto-oncogene c-Myc | Transcription factor p64
Type:
PROTEIN
Mol. Mass.:
48794.95
Organism:
Homo sapiens (Human)
Description:
ChEMBL_935266
Residue:
439
Sequence:
MPLNVSFTNRNYDLDYDSVQPYFYCDEEENFYQQQQQSELQPPAPSEDIWKKFELLPTPPLSPSRRSGLCSPSYVAVTPFSLRGDNDGGGGSFSTADQLEMVTELLGGDMVNQSFICDPDDETFIKNIIIQDCMWSGFSAAAKLVSEKLASYQAARKDSGSPNPARGHSVCSTSSLYLQDLSAAASECIDPSVVFPYPLNDSSSPKSCASQDSSAFSPSSDSLLSSTESSPQGSPEPLVLHEETPPTTSSDSEEEQEDEEEIDVVSVEKRQAPGKRSESGSPSAGGHSKPPHSPLVLKRCHVSTHQHNYAAPPSTRKDYPAAKRVKLDSVRVLRQISNNRKCTSPRSSDTEENVKRRTHNVLERQRRNELKRSFFALRDQIPELENNEKAPKVVILKKATAYILSVQAEEQKLISEEDLLRKRREQLKHKLEQLRNSCA
  
Component 2
Name:
Protein max
Synonyms:
BHLHD4 | Class D basic helix-loop-helix protein 4 | MAX | MAX_HUMAN | Myc-associated factor X
Type:
PROTEIN
Mol. Mass.:
18273.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_935265
Residue:
160
Sequence:
MSDNDDIEVESDEEQPRFQSAADKRAHHNALERKRRDHIKDSFHSLRDSVPSLQGEKASRAQILDKATEYIQYMRRKNHTHQQDIDDLKRQNALLEQQVRALEKARSSAQLQTNYPSSDNSLYTNAKGSTISAFDGGSDSSSESEPEEPQSRKKLRMEAS
  
Inhibitor
Name:
BDBM50520737
Synonyms:
CHEMBL4467662
Type:
Small organic molecule
Emp. Form.:
C16H12F6N2S
Mol. Mass.:
378.335
SMILES:
FC(F)(F)c1cc(NC(=S)NCc2ccccc2)cc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: