| 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 | BDBM345187 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Fluorescence Polarization Assay (FPA) |
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| IC50 | 110±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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| BDBM345187 |
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| n/a |
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| Name | BDBM345187 |
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| Synonyms: | (2S,3R)-N1-((3S,5S)-5-((S)-3,3- dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-1-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3-yl)-N4- ((S)-2-((S)-3,3-dimethyl-2-((S)-2- (methylamino)propanamido) butanoyl)-3-(((R)-1,2,3,4- tetrahydronaphthalen-1- yl)carbamoyl)-1,2,3,4- tetrahydroisoquinolin-7-yl)-2,3- bis(3,3,3-trifluoropropyl) succinamide | US9783573, Example 37 |
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| Type | Small organic molecule |
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| Emp. Form. | C65H88F6N10O8 |
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| Mol. Mass. | 1251.4468 |
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| SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)[C@@H]1CC(CN1C(=O)NC1CCCc2ccccc12)NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)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| |
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| Structure | 
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