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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM198480
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.5±n/a
IC50
1.5±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:
BDBM198480
Synonyms:
US9216999, 277 | US9556187, Example 277
Type:
Small organic molecule
Emp. Form.:
C22H26N6O
Mol. Mass.:
390.4814
SMILES:
O[C@H](CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,1.0,wD:5.4,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;4.55,2.58,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,)|
Structure:
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