Target
Tyrosine-protein kinase JAK1
Ligand
BDBM489906
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:
BDBM489906
Synonyms:
US10966980, Example 160
Type:
Small organic molecule
Emp. Form.:
C16H22F2N4O2S
Mol. Mass.:
372.433
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)CCCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.85,1.61,;-3.51,.84,;-2.18,1.61,;-1.78,3.09,;-.29,2.69,;1.04,3.47,;2.38,2.69,;3.46,3.78,;1.29,1.61,;3.46,1.61,;3.07,.12,;4.15,-.97,;3.76,-2.46,;4.85,-3.55,;2.27,-2.86,;-.69,1.21,;-3.51,-.7,;-4.85,-1.47,;-4.85,-3.01,;-3.51,-3.78,;-2.18,-3.01,;-.71,-3.49,;.19,-2.24,;-.71,-1,;-2.18,-1.47,)|
Structure:
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