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Target
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP
Ligand
BDBM345203
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
250±n/a nM
Citation
 Borzilleri, RM; Kim, KS; Perez, HL; Stang, EM; Williams, DK; Zhang, L IAP antagonists US Patent  US9783573 Publication Date 10/10/2017 
Target
Name:
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP
Synonyms:
XIAP BIR2-3 | XIAP-BIR2
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 2
Synonyms:
API1 | BIRC2 | BIRC2_HUMAN | Baculoviral IAP repeat-containing protein 2 (cIAP1) | Cellular inhibitor of apoptosis 1 | Inhibitor of apoptosis protein 2 (cIAP1) | MIHB | RNF48
Type:
Protein
Mol. Mass.:
69900.47
Organism:
Homo sapiens (Human)
Description:
Q13490
Residue:
618
Sequence:
MHKTASQRLFPGPSYQNIKSIMEDSTILSDWTNSNKQKMKYDFSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLDNWKLGDSPIQKHKQLYPSCSFIQNLVSASLGSTSKNTSPMRNSFAHSLSPTLEHSSLFSGSYSSLSPNPLNSRAVEDISSSRTNPYSYAMSTEEARFLTYHMWPLTFLSPSELARAGFYYIGPGDRVACFACGGKLSNWEPKDDAMSEHRRHFPNCPFLENSLETLRFSISNLSMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGLRCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRYPHLLEQLLSTSDTTGEENADPPIIHFGPGESSSEDAVMMNTPVVKSALEMGFNRDLVKQTVQSKILTTGENYKTVNDIVSALLNAEDEKREEEKEKQAEEMASDDLSLIRKNRMALFQQLTCVLPILDNLLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNCLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTFLS
  
Inhibitor
Name:
BDBM345203
Synonyms:
N6-((3S)-2-((S)-3,3-Dimethyl-2-((S)- 2-(methylamino)propanamido) butanoyl)-3-((1,2,3,4- tetrahydronaphthalen-1- yl)carbamoyl)-1,2,3,4- tetrahydroisoquinolin-7-yl)-N1-((5S)- 1-((S)-3,3-dimethyl-2-((S)-2- (methylamino)propanamido) butanoyl)-5-((1,2,3,4- tetrahydronaphthalen-1-yl)carbamoyl) pyrrolidin-3-yl)-1H-indole-1,6- dicarboxamide | US9783573, Example 53
Type:
Small organic molecule
Emp. Form.:
C65H83N11O8
Mol. Mass.:
1146.4234
SMILES:
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2ccc(cc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r|
Structure:
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