Target
Tyrosine-protein kinase JAK1
Ligand
BDBM489934
Substrate
n/a
Meas. Tech.
Caliper Enzyme Assay
IC50
0.007±n/a nM
Citation
 Vazquez, MLKaila, NTuttle, JBVerhoest, PRReese, MRCoffman, KJSamad, TDuerr, JMSciabola, SParikh, MD Pyrrolo[2,3-d]pyrimidine derivatives US Patent  US10966980 Publication Date 4/6/2021 
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:
BDBM489934
Synonyms:
US10966980, Example 188
Type:
Small organic molecule
Emp. Form.:
C17H23F2N5O3S
Mol. Mass.:
415.458
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)OC(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-4.56,.73,;-3.22,-.04,;-2.14,1.05,;-2.14,2.59,;-.6,2.59,;.49,3.68,;1.98,3.28,;3.07,4.37,;1.58,4.77,;2.38,1.79,;3.84,1.31,;3.84,-.23,;2.38,-.7,;1.47,.54,;1.98,-2.19,;3.07,-3.28,;4.56,-2.88,;2.67,-4.77,;-.6,1.05,;-3.22,-1.58,;-4.56,-2.35,;-4.56,-3.89,;-3.22,-4.66,;-1.89,-3.89,;-.43,-4.37,;.48,-3.12,;-.43,-1.88,;-1.89,-2.35,)|
Structure:
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