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Target
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
Ligand
BDBM312970
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50
51.0±n/a nM
Citation
 Borzilleri, RM; Zhang, Y; Miller, M; Fraley, A Macrocyclic compounds for inhibition of inhibitors of apoptosis US Patent  US9605022 Publication Date 3/28/2017 
Target
Name:
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP
Synonyms:
XIAP BIR3 | XIAP-BIR3 | XIAP-BIR31
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
E3 ubiquitin-protein ligase XIAP
Synonyms:
API3 | BIRC4 | E3 ubiquitin-protein ligase XIAP | IAP3 | Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | X-linked inhibitor of apoptosis | X-linked inhibitor of apoptosis protein (XIAP) | XIAP | XIAP_HUMAN
Type:
Protein
Mol. Mass.:
56685.27
Organism:
Homo sapiens (Human)
Description:
P98170
Residue:
497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Component 2
Name:
Baculoviral IAP repeat-containing protein 3
Synonyms:
API2 | BIRC3 | BIRC3_HUMAN | Baculoviral IAP repeat-containing protein 3 | Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) | Inhibitor of apoptosis protein 3 (cIAP2) | MIHC | RNF49 | XIAP-BIR3 | cIAP1/cIAP2
Type:
Protein
Mol. Mass.:
68365.75
Organism:
Homo sapiens (Human)
Description:
Q13489
Residue:
604
Sequence:
MNIVENSIFLSNLMKSANTFELKYDLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLDNWKRGDSPTEKHKKLYPSCRFVQSLNSVNNLEATSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSNPVNSRANQDFSALMRSSYHCAMNNENARLLTFQTWPLTFLSPTDLAKAGFYYIGPGDRVACFACGGKLSNWEPKDNAMSEHLRHFPKCPFIENQLQDTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLRCWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTSDSPGDENAESSIIHFEPGEDHSEDAIMMNTPVINAAVEMGFSRSLVKQTVQRKILATGENYRLVNDLVLDLLNAEDEIREEERERATEEKESNDLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS
  
Inhibitor
Name:
BDBM312970
Synonyms:
US9605022, Example 5
Type:
Small organic molecule
Emp. Form.:
C74H102N18O16S2
Mol. Mass.:
1563.843
SMILES:
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: