Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase JAK1
LigandBDBM229478
Substrate/Competitorn/a
Meas. Tech.HTRF Biochemical Assay
Temperature298.15±n/a K
IC50 0.09±n/a nM
Commentsextracted
Citation Brubaker, JChilders, MLChristopher, MClose, JTKatz, JDJung, JPeterson, SSiliphaivanh, PSiu, TSmith, GFTorres, LEWoo, HCYoung, JRZhang, H Cyanomethylpyrazole carboxamides as janus kinase inhibitors US Patent US9328099 Publication Date 5/3/2016
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase JAK1
Name:Tyrosine-protein kinase JAK1
Synonyms:JAK-1 | JAK1 | JAK1A | JAK1B | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1
Type:Protein
Mol. Mass.:133293.73
Organism:Homo sapiens (Human)
Description:P23458
Residue:1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEEL
CIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTN
DNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQ
DGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRI
NNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMN
WFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIR
EEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAH
HYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVT
CFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFML
KRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSG
TLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRD
VENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNL
LLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFG
TTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRA
IMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDN
TGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLP
SGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIG
DFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDS
DSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRT
SFQNLIEGFEALLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM229478
NameBDBM229478
Synonyms:US9328099, 41-4
TypeSmall organic molecule
Emp. Form.C24H24F3N7O
Mol. Mass.483.4889
SMILESNC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(F)cc1F |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,;7.42,-.87,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a