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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM159787
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:
BDBM159787
Synonyms:
US10966980, Example 37 | US9035074, 37
Type:
Small organic molecule
Emp. Form.:
C18H18N6O2S
Mol. Mass.:
382.44
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)c2cc(ccn2)C#N)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,.61,;-5.61,-.16,;-4.28,.61,;-3.88,2.1,;-2.39,1.7,;-1.06,2.47,;.28,1.7,;-.49,.37,;1.05,.37,;1.61,2.47,;2.94,1.7,;4.28,2.47,;4.28,4.01,;2.94,4.78,;1.61,4.01,;5.61,1.7,;6.94,.93,;-2.79,.21,;-5.61,-1.7,;-6.94,-2.47,;-6.94,-4.01,;-5.61,-4.78,;-4.28,-4.01,;-2.81,-4.49,;-1.91,-3.24,;-2.81,-1.99,;-4.28,-2.47,)|
Structure:
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