Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM412175
Substrate
n/a
Meas. Tech.
TR-FRET Assays for XIAP BIR2
IC50
36.0±n/a nM
Citation
 Flohr, A; Galley, G; Norcross, R; Zorn, N Dimeric compounds US Patent  US10398702 Publication Date 9/3/2019 
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:
BDBM412175
Synonyms:
N-(2-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindoline-1- carboxamido)benzamido) ethyl)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide dihydrochloride | US10398702, Example 14
Type:
Small organic molecule
Emp. Form.:
C59H74F2N10O8
Mol. Mass.:
1089.2779
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)NCCNC(=O)C1(C)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCOC[C@H]2C)c2cc(Cc3ccc(F)cc3)ccc12 |r|
Structure:
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