Reaction Details Report a problem with these data
Target
Homeobox protein Nkx-2.5/Transcription factor GATA-4
Ligand
BDBM50249945
Substrate
n/a
Meas. Tech.
ChEMBL_1680721 (CHEMBL4030998)
IC50
20000±n/a nM
Citation
 Välimäki, MJ; Tölli, MA; Kinnunen, SM; Aro, J; Serpi, R; Pohjolainen, L; Talman, V; Poso, A; Ruskoaho, HJ Discovery of Small Molecules Targeting the Synergy of Cardiac Transcription Factors GATA4 and NKX2-5. J Med Chem 60:7781-7798 (2017) [PubMed]  Article 
Target
Name:
Homeobox protein Nkx-2.5/Transcription factor GATA-4
Synonyms:
GATA4/NKX2-5
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1680721
Components:
This complex has 2 components.
Component 1
Name:
Transcription factor GATA-4
Synonyms:
GATA-binding factor 4 | GATA4_MOUSE | Gata-4 | Gata4 | Transcription factor GATA-4
Type:
PROTEIN
Mol. Mass.:
44598.13
Organism:
Mus musculus
Description:
ChEMBL_117707
Residue:
441
Sequence:
MYQSLAMAANHGPPPGAYEAGGPGAFMHSAGAASSPVYVPTPRVPSSVLGLSYLQGGGSAAAAGTTSGGSSGAGPSGAGPGTQQGSPGWSQAGAEGAAYTPPPVSPRFSFPGTTGSLAAAAAAAAAREAAAYGSGGGAAGAGLAGREQYGRPGFAGSYSSPYPAYMADVGASWAAAAAASAGPFDSPVLHSLPGRANPGRHPNLDMFDDFSEGRECVNCGAMSTPLWRRDGTGHYLCNACGLYHKMNGINRPLIKPQRRLSASRRVGLSCANCQTTTTTLWRRNAEGEPVCNACGLYMKLHGVPRPLAMRKEGIQTRKRKPKNLNKSKTPAGPAGETLPPSSGASSGNSSNATSSSSSSEEMRPIKTEPGLSSHYGHSSSMSQTFSTVSGHGPSIHPVLSALKLSPQGYASPVTQTSQASSKQDSWNSLVLADSHGDIITA
  
Component 2
Name:
Homeobox protein Nkx-2.5
Synonyms:
Cardiac-specific homeobox | Csx | Homeobox protein CSX | Homeobox protein NK-2 homolog E | Homeobox protein Nkx-2.5 | NKX25_MOUSE | Nkx-2.5 | Nkx2-5 | Nkx2e
Type:
PROTEIN
Mol. Mass.:
34174.01
Organism:
Mus musculus
Description:
ChEMBL_117707
Residue:
318
Sequence:
MFPSPALTPTPFSVKDILNLEQQQRSLASGDLSARLEATLAPASCMLAAFKPEAYSGPEAAASGLAELRAEMGPAPSPPKCSPAFPAAPTFYPGAYGDPDPAKDPRADKKELCALQKAVELDKAETDGAERPRARRRRKPRVLFSQAQVYELERRFKQQRYLSAPERDQLASVLKLTSTQVKIWFQNRRYKCKRQRQDQTLELLGPPPPPARRIAVPVLVRDGKPCLGDPAAYAPAYGVGLNAYGYNAYPYPSYGGAACSPGYSCAAYPAAPPAAQPPAASANSNFVNFGVGDLNTVQSPGMPQGNSGVSTLHGIRAW
  
Inhibitor
Name:
BDBM50249945
Synonyms:
CHEMBL4081188
Type:
Small organic molecule
Emp. Form.:
C19H18N2O3
Mol. Mass.:
322.3578
SMILES:
CCOc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: