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Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM422064
Substrate
n/a
Meas. Tech.
Biological Assay 1: affinity of compounds to cIAP1-BIR3, cIAP2-BIR3, XIAP-BIR3
IC50
<10.00±n/a nM
Citation
 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S Benzimidazole-linked indole compound acting as novel divalent IAP antagonist US Patent  US10508103 Publication Date 12/17/2019 
Target
Name:
E3 ubiquitin-protein ligase XIAP [241-356]
Synonyms:
API3 | BIR3 domain of X-linked inhibitor of apoptosis protein | BIRC4 | E3 ubiquitin-protein ligase (XIAP-BIR3) | E3 ubiquitin-protein ligase XIAP BIR-3 | E3 ubiquitin-protein ligase XIAP BIR3 | IAP3 | X chromosome-linked inhibitor of apoptosis BIR3 domain (XIAP BIR3) | X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3) | XIAP | XIAP-BIR3 | XIAP_HUMAN | baculovirus IAP repeat 3 (BIR3) domain of XIAP
Type:
Protein Binding Domain
Mol. Mass.:
13276.62
Organism:
Homo sapiens (Human)
Description:
BIR3 of XIAP: RESIDUES 241-356.
Residue:
116
Sequence:
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
  
Inhibitor
Name:
BDBM422064
Synonyms:
US10508103, Embodiment 17
Type:
Small organic molecule
Emp. Form.:
C45H57F4N9O4
Mol. Mass.:
863.9856
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC1 |r|
Structure:
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