Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM249167
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
Temperature
298.15±n/a K
IC50
0.72±n/a nM
Comments
extracted
Citation
 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS IAP antagonists US Patent  US9453048 Publication Date 9/27/2016 
Target
Name:
E3 ubiquitin-protein ligase XIAP [124-240]
Synonyms:
6x Histidine-tagged BIR2 domain | API3 | BIR2 (aa 124-240) | BIRC4 | E3 ubiquitin-protein ligase (XIAP-BIR2)(C202A/C213G) | IAP3 | XIAP | XIAP Bir2 | XIAP_HUMAN | amino acids 124-240 of XIAP
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13562.46
Organism:
Homo sapiens (Human)
Description:
P98170[124-240]
Residue:
117
Sequence:
RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE
  
Inhibitor
Name:
BDBM249167
Synonyms:
US9453048, 9
Type:
Small organic molecule
Emp. Form.:
C63H80N8O8
Mol. Mass.:
1077.3581
SMILES:
CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12 |r,c:67|
Structure:
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