| Reaction Details |
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 | Report a problem with these data |
| Target | Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP |
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| Ligand | BDBM345162 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Fluorescence Polarization Assay (FPA) |
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| IC50 | 130±n/a nM |
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| Citation |  Borzilleri, RM; Kim, KS; Perez, HL; Stang, EM; Williams, DK; Zhang, L IAP antagonists US Patent US9783573 Publication Date 10/10/2017 |
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| More Info.: | Get all data from this article, Assay Method |
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| Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP |
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| Name: | Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP |
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| Synonyms: | XIAP BIR3 | XIAP-BIR3 | XIAP-BIR31 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | E3 ubiquitin-protein ligase XIAP |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 56685.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P98170 |
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| Residue: | 497 |
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| Sequence: | MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDT
VRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENY
LGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLT
PRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSE
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTP
SLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKD
SMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDK
CPMCYTVITFKQKIFMS
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| Component 2 |
| Name: | Baculoviral IAP repeat-containing protein 3 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 68365.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q13489 |
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| Residue: | 604 |
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| Sequence: | MNIVENSIFLSNLMKSANTFELKYDLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGV
NDKVKCFCCGLMLDNWKRGDSPTEKHKKLYPSCRFVQSLNSVNNLEATSQPTFPSSVTNS
THSLLPGTENSGYFRGSYSNSPSNPVNSRANQDFSALMRSSYHCAMNNENARLLTFQTWP
LTFLSPTDLAKAGFYYIGPGDRVACFACGGKLSNWEPKDNAMSEHLRHFPKCPFIENQLQ
DTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLR
CWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTSDSPGDENAESS
IIHFEPGEDHSEDAIMMNTPVINAAVEMGFSRSLVKQTVQRKILATGENYRLVNDLVLDL
LNAEDEIREEERERATEEKESNDLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHD
VIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVS
DLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVR
TFLS
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| BDBM345162 |
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| n/a |
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| Name | BDBM345162 |
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| Synonyms: | N1,N4-bis((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido)butanoyl)-3- (((R)-1-(2-fluorophenyl)ethyl)carbamoyl)- 1,2,3,4-tetrahydroisoquinolin-7- yl)terephthalamide | US9783573, Example 12 |
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| Type | Small organic molecule |
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| Emp. Form. | C64H78F2N10O8 |
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| Mol. Mass. | 1153.3631 |
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| SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)Nc3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c3ccccc3F)ccc2C[C@H]1C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| |
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| Structure | 
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