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Target
Baculoviral IAP repeat-containing protein 2
Ligand
BDBM50495459
Substrate
n/a
Meas. Tech.
ChEMBL_1287139 (CHEMBL3111928)
EC50
0.600000±n/a nM
Citation
 Hennessy, EJ; Adam, A; Aquila, BM; Castriotta, LM; Cook, D; Hattersley, M; Hird, AW; Huntington, C; Kamhi, VM; Laing, NM; Li, D; MacIntyre, T; Omer, CA; Oza, V; Patterson, T; Repik, G; Rooney, MT; Saeh, JC; Sha, L; Vasbinder, MM; Wang, H; Whitston, D Discovery of a novel class of dimeric Smac mimetics as potent IAP antagonists resulting in a clinical candidate for the treatment of cancer (AZD5582). J Med Chem 56:9897-919 (2013) [PubMed]  Article 
Target
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:
BDBM50495459
Synonyms:
CHEMBL3108921
Type:
Small organic molecule
Emp. Form.:
C60H78N8O8S2
Mol. Mass.:
1103.44
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC2(CC2)[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N(CSC11CC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r|
Structure:
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