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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM229473
Substrate
n/a
Meas. Tech.
HTRF Biochemical Assay
Temperature
298.15±n/a K
IC50
0.09±n/a nM
Comments
extracted
Citation
 Brubaker, J; Childers, ML; Christopher, M; Close, JT; Katz, JD; Jung, J; Peterson, S; Siliphaivanh, P; Siu, T; Smith, GF; Torres, LE; Woo, HC; Young, JR; Zhang, H Cyanomethylpyrazole carboxamides as janus kinase inhibitors US Patent  US9328099 Publication Date 5/3/2016 
Target
Name:
Tyrosine-protein kinase JAK1
Synonyms:
JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | 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:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM229473
Synonyms:
US9328099, 40-108
Type:
Small organic molecule
Emp. Form.:
C25H27FN6O
Mol. Mass.:
446.5199
SMILES:
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@]1(CC#N)CC[C@@H](CC1)NCc1ccccc1 |r,wU:22.27,16.17,(-8.25,3.36,;-6.76,3.76,;-6.36,5.25,;-5.67,2.67,;-4.21,3.15,;-3.3,1.9,;-4.21,.66,;-5.67,1.13,;-6.76,.04,;-6.36,-1.44,;-7.45,-2.53,;-7.05,-4.02,;-5.56,-4.42,;-5.17,-5.91,;-4.48,-3.33,;-4.87,-1.84,;-1.76,1.9,;-2.53,3.24,;-1.76,4.57,;-.99,5.91,;-.99,.57,;.55,.57,;1.32,1.9,;.55,3.24,;-.99,3.24,;2.86,1.9,;3.63,3.24,;5.17,3.24,;5.94,1.9,;7.48,1.9,;8.25,3.24,;7.48,4.57,;5.94,4.57,)|
Structure:
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