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Target
PAX33/FOXO11
Ligand
BDBM50595105
Substrate
n/a
Meas. Tech.
ChEMBL_2215519 (CHEMBL5128651)
IC50
13000±n/a nM
Citation
 Jiang, W; Tian, X; Wang, D; Bokesch, HR; Thomas, CL; Woldemichael, GM; Gryder, BE; Wei, JS; Song, YK; Chou, HC; Khan, J; O'Keefe, BR; Gustafson, KR Dentithecamides A-H, Diacylated Zoanthoxanthin Derivatives with PAX3-FOXO1 Inhibitory Activity from the Hydroid  J Nat Prod 85:1419-1427 (2022) [PubMed]  Article
Target
Name:
PAX33/FOXO11
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2215519
Components:
This complex has 2 components.
Component 1
Name:
Forkhead box protein O1
Synonyms:
FKHR | FOXO1 | FOXO1A | FOXO1_HUMAN
Type:
PROTEIN
Mol. Mass.:
69663.36
Organism:
Homo sapiens (Human)
Description:
ChEMBL_525852
Residue:
655
Sequence:
MAEAPQVVEIDPDFEPLPRPRSCTWPLPRPEFSQSNSATSSPAPSGSAAANPDAAAGLPSASAAAVSADFMSNLSLLEESEDFPQAPGSVAAAVAAAAAAAATGGLCGDFQGPEAGCLHPAPPQPPPPGPLSQHPPVPPAAAGPLAGQPRKSSSSRRNAWGNLSYADLITKAIESSAEKRLTLSQIYEWMVKSVPYFKDKGDSNSSAGWKNSIRHNLSLHSKFIRVQNEGTGKSSWWMLNPEGGKSGKSPRRRAASMDNNSKFAKSRSRAAKKKASLQSGQEGAGDSPGSQFSKWPASPGSHSNDDFDNWSTFRPRTSSNASTISGRLSPIMTEQDDLGEGDVHSMVYPPSAAKMASTLPSLSEISNPENMENLLDNLNLLSSPTSLTVSTQSSPGTMMQQTPCYSFAPPNTSLNSPSPNYQKYTYGQSSMSPLPQMPIQTLQDNKSSYGGMSQYNCAPGLLKELLTSDSPPHNDIMTPVDPGVAQPNSRVLGQNVMMGPNSVMSTYGSQASHNKMMNPSSHTHPGHAQQTSAVNGRPLPHTVSTMPHTSGMNRLTQVKTPVQVPLPHPMQMSALGGYSSVSSCNGYGRMGLLHQEKLPSDLDGMFIERLDCDMESIIRNDLMDGDTLDFNFDNVLPNQSFPHSVKTTTHSWVSG
  
Component 2
Name:
Paired box protein Pax-3
Synonyms:
HUP2 | PAX3 | PAX3_HUMAN
Type:
PROTEIN
Mol. Mass.:
52981.03
Organism:
Homo sapiens
Description:
ChEMBL_120792
Residue:
479
Sequence:
MTTLAGAVPRMMRPGPGQNYPRSGFPLEVSTPLGQGRVNQLGGVFINGRPLPNHIRHKIVEMAHHGIRPCVISRQLRVSHGCVSKILCRYQETGSIRPGAIGGSKPKQVTTPDVEKKIEEYKRENPGMFSWEIRDKLLKDAVCDRNTVPSVSSISRILRSKFGKGEEEEADLERKEAEESEKKAKHSIDGILSERASAPQSDEGSDIDSEPDLPLKRKQRRSRTTFTAEQLEELERAFERTHYPDIYTREELAQRAKLTEARVQVWFSNRRARWRKQAGANQLMAFNHLIPGGFPPTAMPTLPTYQLSETSYQPTSIPQAVSDPSSTVHRPQPLPPSTVHQSTIPSNPDSSSAYCLPSTRHGFSSYTDSFVPPSGPSNPMNPTIGNGLSPQVMGLLTNHGGVPHQPQTDYALSPLTGGLEPTTTVSASCSQRLDHMKSLDSLPTSQSYCPPTYSTTGYSMDPVTGYQYGQYGQSKPWTF
  
Inhibitor
Name:
BDBM50595105
Synonyms:
CHEMBL5192045
Type:
Small organic molecule
Emp. Form.:
C24H22N6O2
Mol. Mass.:
426.4705
SMILES:
CC1c2[nH]c(NC(=O)c3ccccc3)nc2CCc2nc(NC(=O)c3ccccc3)[nH]c12
Structure:
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