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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM387819
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
0.200±n/a nM
Citation
 Koudriakova, T; Kreutter, KD; Leonard, K; Rizzolio, MC; Smith, RC; Tichenor, MS; Wang, A Small molecule inhibitors of the JAK family of kinases US Patent  US10294226 Publication Date 5/21/2019 
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:
Human
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM387819
Synonyms:
2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile | US10294226, Compound Ex. 2 | US10487083, Example 2 | US10981911, Example 2
Type:
Small organic molecule
Emp. Form.:
C19H19N7
Mol. Mass.:
345.4011
SMILES:
N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |r,wU:3.2,(5.45,3.94,;3.94,4.26,;2.44,4.58,;1.41,3.44,;1.88,1.97,;.85,.83,;-.65,1.15,;-1.13,2.61,;-.1,3.76,;-1.68,0,;-3.22,.17,;-3.84,-1.24,;-2.7,-2.27,;-2.7,-3.81,;-1.36,-4.58,;-.03,-3.81,;1.43,-4.29,;2.34,-3.04,;1.43,-1.8,;-.03,-2.27,;-1.36,-1.5,;-3.99,1.5,;-5.45,1.97,;-5.45,3.51,;-3.99,3.99,;-3.08,2.74,)|
Structure:
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