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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM198557
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.5±n/a
IC50
1.8±n/a nM
Citation
 Hayashi, K; Watanabe, T; Toyama, K; Kamon, J; Minami, M; Uni, M; Nasu, M Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors US Patent  US9216999 Publication Date 12/22/2015 
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:
BDBM198557
Synonyms:
US9216999, 354 | US9556187, Example 354
Type:
Small organic molecule
Emp. Form.:
C16H17F3N6O
Mol. Mass.:
366.341
SMILES:
FC(F)(F)CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.94,2.53,;4.55,4.02,;5.63,5.11,;6.03,3.62,;3.06,4.42,;1.97,3.33,;.48,3.73,;.08,5.21,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|
Structure:
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