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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM159752
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
6±n/a nM
Comments
extracted
Citation
 Brown, MF; Fenwick, AE; Flanagan, ME; Gonzales, A; Johnson, TA; Kaila, N; Mitton-Fry, MJ; Strohbach, JW; TenBrink, RE; Trzupek, JD; Unwalla, RJ; Vazquez, ML; Parikh, MD Pyrrolo[2,3-D]pyrimidine derivatives US Patent  US9035074 Publication Date 5/19/2015 
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:
BDBM159752
Synonyms:
US10966980, Example 5 | US9035074, 5
Type:
Small organic molecule
Emp. Form.:
C17H22N6O3S
Mol. Mass.:
390.46
SMILES:
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1(CC#N)COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.26,.84,;-4.93,.07,;-3.59,.84,;-3.59,2.38,;-2.05,2.38,;-2.05,.84,;-.96,3.47,;.52,3.07,;.92,4.55,;.13,1.58,;2.01,2.67,;2.41,1.18,;3.18,2.51,;4.72,2.51,;6.26,2.51,;1.32,.09,;2.41,-1,;3.5,.09,;-4.93,-1.47,;-6.26,-2.24,;-6.26,-3.78,;-4.93,-4.55,;-3.59,-3.78,;-2.13,-4.26,;-1.22,-3.01,;-2.13,-1.77,;-3.59,-2.24,)|
Structure:
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