| Reaction Details |
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 | Report a problem with these data |
| Target | Aurora kinase B/Inner centromere protein |
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| Ligand | BDBM50277545 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1620442 (CHEMBL3862725) |
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| IC50 | 1.1±n/a nM |
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| Citation |  Kilchmann, F; Marcaida, MJ; Kotak, S; Schick, T; Boss, SD; Awale, M; Gönczy, P; Reymond, JL Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J Med Chem59:7188-211 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aurora kinase B/Inner centromere protein |
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| Name: | Aurora kinase B/Inner centromere protein |
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| Synonyms: | Aurora B/Incenp |
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| Type: | Protein Complex |
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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: | Aurora kinase B |
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| Synonyms: | AIK2 | AIM-1 | AIM1 | AIRK2 | ARK2 | AURKB | AURKB_HUMAN | Aurora B kinase (aurB) | Aurora B-INCENP | Aurora kinase 2 | Aurora kinase B (AURKB) | Aurora-related kinase 2 | STK-1 | STK1 | STK12 | STK5 | Serine/threonine-protein kinase aurora B |
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| Type: | Protein |
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| Mol. Mass.: | 39327.72 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96GD4 |
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| Residue: | 344 |
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| Sequence: | MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMEN
SSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEH
QLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATI
MEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYL
PPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGA
QDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
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| Component 2 |
| Name: | Inner centromere protein |
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| Synonyms: | INCENP | INCE_HUMAN |
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| Type: | Protein |
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| Mol. Mass.: | 105461.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NQS7 |
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| Residue: | 918 |
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| Sequence: | MGTTAPGPIHLLELCDQKLMEFLCNMDNKDLVWLEEIQEEAERMFTREFSKEPELMPKTP
SQKNRRKKRRISYVQDENRDPIRRRLSRRKSRSSQLSSRRLRSKDSVEKLATVVGENGSV
LRRVTRAAAAAAAATMALAAPSSPTPESPTMLTKKPEDNHTQCQLVPVVEIGISERQNAE
QHVTQLMSTEPLPRTLSPTPASATAPTSQGIPTSDEESTPKKSKARILESITVSSLMATP
QDPKGQGVGTGRSASKLRIAQVSPGPRDSPAFPDSPWRERVLAPILPDNFSTPTGSRTDS
QSVRHSPIAPSSPSPQVLAQKYSLVAKQESVVRRASRRLAKKTAEEPAASGRIICHSYLE
RLLNVEVPQKVGSEQKEPPEEAEPVAAAEPEVPENNGNNSWPHNDTEIANSTPNPKPAAS
SPETPSAGQQEAKTDQADGPREPPQSARRKRSYKQAVSELDEEQHLEDEELQPPRSKTPS
SPCPASKVVRPLRTFLHTVQRNQMLMTPTSAPRSVMKSFIKRNTPLRMDPKCSFVEKERQ
RLENLRRKEEAEQLRRQKVEEDKRRRLEEVKLKREERLRKVLQARERVEQMKEEKKKQIE
QKFAQIDEKTEKAKEERLAEEKAKKKAAAKKMEEVEARRKQEEEARRLRWLQQEEEERRH
QELLQKKKEEEQERLRKAAEAKRLAEQREQERREQERREQERREQERREQERREQERQLA
EQERRREQERLQAERELQEREKALRLQKEQLQRELEEKKKKEEQQRLAERQLQEEQEKKA
KEAAGASKALNVTVDVQSPACTSYQMTPQGHRAPPKINPDNYGMDLNSDDSTDDEAHPRK
PIPTWARGTPLSQAIIHQYYHPPNLLELFGTILPLDLEDIFKKSKPRYHKRTSSAVWNSP
PLQGARVPSSLAYSLKKH
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| BDBM50277545 |
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| n/a |
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| Name | BDBM50277545 |
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| Synonyms: | 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid | Alisertib | CHEMBL483158 | MLN8237 | US10092556, Example MLN8237 | US9346787, MLN8237 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H20ClFN4O4 |
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| Mol. Mass. | 518.924 |
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| SMILES | COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| |
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| Structure | 
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