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Target
Aurora kinase C/Inner centromere protein
Ligand
BDBM50244953
Substrate
n/a
Meas. Tech.
ChEMBL_1674266 (CHEMBL4024295)
IC50
22±n/a nM
Citation
 Li, Y; Luo, X; Guo, Q; Nie, Y; Wang, T; Zhang, C; Huang, Z; Wang, X; Liu, Y; Chen, Y; Zheng, J; Yang, S; Fan, Y; Xiang, R Discovery of N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d]pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide as a Novel Inhibitor Targeting Cyclin-dependent Kinase 4/9 (CDK4/9) and Histone Deacetlyase1 (HDAC1) against Malignant Cancer. J Med Chem 61:3166-3192 (2018) [PubMed]  Article 
Target
Name:
Aurora kinase C/Inner centromere protein
Synonyms:
Aurora-C/INCENP
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1674266
Components:
This complex has 2 components.
Component 1
Name:
Aurora kinase C
Synonyms:
AIE2 | AIK3 | AIRK3 | ARK3 | AURKC | AURKC_HUMAN | Aurora Kinase C (Aurora-C) | Aurora kinase C | Aurora kinase C (AURKC) | Aurora-C | Aurora-C/INCENP | Aurora/Ipl1-related kinase 3 | Aurora/Ipl1/Eg2 protein 2 | STK13 | Serine/threonine-protein kinase 13 | Serine/threonine-protein kinase Aurora-C
Type:
Enzyme
Mol. Mass.:
35602.43
Organism:
Homo sapiens (Human)
Description:
Amino acid residues 1-309 were expressed as His-tagged fusion protein using baculovirus expression system.
Residue:
309
Sequence:
MSSPRAVVQLGKAQPAGEELATANQTAQQPSSPAMRRLTVDDFEIGRPLGKGKFGNVYLARLKESHFIVALKVLFKSQIEKEGLEHQLRREIEIQAHLQHPNILRLYNYFHDARRVYLILEYAPRGELYKELQKSEKLDEQRTATIIEELADALTYCHDKKVIHRDIKPENLLLGFRGEVKIADFGWSVHTPSLRRKTMCGTLDYLPPEMIEGRTYDEKVDLWCIGVLCYELLVGYPPFESASHSETYRRILKVDVRFPLSMPLGARDLISRLLRYQPLERLPLAQILKHPWVQAHSRRVLPPCAQMAS
  
Component 2
Name:
Inner centromere protein
Synonyms:
INCENP | INCE_HUMAN
Type:
Protein
Mol. Mass.:
105461.33
Organism:
Homo sapiens (Human)
Description:
Q9NQS7
Residue:
918
Sequence:
MGTTAPGPIHLLELCDQKLMEFLCNMDNKDLVWLEEIQEEAERMFTREFSKEPELMPKTPSQKNRRKKRRISYVQDENRDPIRRRLSRRKSRSSQLSSRRLRSKDSVEKLATVVGENGSVLRRVTRAAAAAAAATMALAAPSSPTPESPTMLTKKPEDNHTQCQLVPVVEIGISERQNAEQHVTQLMSTEPLPRTLSPTPASATAPTSQGIPTSDEESTPKKSKARILESITVSSLMATPQDPKGQGVGTGRSASKLRIAQVSPGPRDSPAFPDSPWRERVLAPILPDNFSTPTGSRTDSQSVRHSPIAPSSPSPQVLAQKYSLVAKQESVVRRASRRLAKKTAEEPAASGRIICHSYLERLLNVEVPQKVGSEQKEPPEEAEPVAAAEPEVPENNGNNSWPHNDTEIANSTPNPKPAASSPETPSAGQQEAKTDQADGPREPPQSARRKRSYKQAVSELDEEQHLEDEELQPPRSKTPSSPCPASKVVRPLRTFLHTVQRNQMLMTPTSAPRSVMKSFIKRNTPLRMDPKCSFVEKERQRLENLRRKEEAEQLRRQKVEEDKRRRLEEVKLKREERLRKVLQARERVEQMKEEKKKQIEQKFAQIDEKTEKAKEERLAEEKAKKKAAAKKMEEVEARRKQEEEARRLRWLQQEEEERRHQELLQKKKEEEQERLRKAAEAKRLAEQREQERREQERREQERREQERREQERREQERQLAEQERRREQERLQAERELQEREKALRLQKEQLQRELEEKKKKEEQQRLAERQLQEEQEKKAKEAAGASKALNVTVDVQSPACTSYQMTPQGHRAPPKINPDNYGMDLNSDDSTDDEAHPRKPIPTWARGTPLSQAIIHQYYHPPNLLELFGTILPLDLEDIFKKSKPRYHKRTSSAVWNSPPLQGARVPSSLAYSLKKH
  
Inhibitor
Name:
BDBM50244953
Synonyms:
CHEMBL4063500
Type:
Small organic molecule
Emp. Form.:
C28H37N7O4
Mol. Mass.:
535.6379
SMILES:
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
Structure:
Search PDB for entries with ligand similarity: