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Target
Paired box protein Pax-3
Ligand
BDBM50595107
Substrate
n/a
Meas. Tech.
ChEMBL_2215519 (CHEMBL5128651)
IC50
17000±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] 
Target
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:
BDBM50595107
Synonyms:
CHEMBL5185415
Type:
Small organic molecule
Emp. Form.:
C22H24N6O2
Mol. Mass.:
404.465
SMILES:
CC1c2[nH]c(NC(=O)C=C(C)C)nc2CCc2nc(NC(=O)c3ccccc3)[nH]c12 |(-.14,2.58,;-.14,1.04,;-1.55,.43,;-2.85,1.26,;-4.07,.29,;-5.56,.69,;-6.65,-.4,;-6.25,-1.89,;-8.14,-0,;-9.23,-1.09,;-10.72,-.69,;-8.83,-2.58,;-3.54,-1.13,;-1.95,-1.07,;-1.03,-2.37,;.51,-2.37,;1.51,-1.19,;3.02,-1.38,;3.68,0,;5.17,.4,;6.26,-.69,;5.86,-2.18,;7.74,-.29,;8.14,1.2,;9.63,1.59,;10.72,.5,;10.32,-.98,;8.84,-1.38,;2.58,1.05,;1.22,.32,)|
Structure:
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