Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM490009
Substrate
n/a
Meas. Tech.
Caliper Enzyme Assay
IC50
0.002±n/a nM
Citation
 Vazquez, ML; Kaila, N; Tuttle, JB; Verhoest, PR; Reese, MR; Coffman, KJ; Samad, T; Duerr, JM; Sciabola, S; Parikh, 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:
BDBM490009
Synonyms:
US10966980, Example 263
Type:
Small organic molecule
Emp. Form.:
C21H23F2N5O2S
Mol. Mass.:
447.501
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3ccccc3C(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4.1,;3.34,2.77,;1.8,2.77,;.71,3.86,;-.38,2.77,;-1.92,2.77,;-2.69,1.44,;-1.36,.67,;-4.03,2.21,;-3.46,.1,;-5,.1,;-5.77,-1.23,;-7.31,-1.23,;-8.08,-2.56,;-7.31,-3.9,;-5.77,-3.9,;-5,-2.56,;-3.46,-2.56,;-3.46,-4.1,;-2.13,-3.33,;-2.69,-1.23,;.71,1.68,;4.11,1.44,;3.34,.1,;4.11,-1.23,;5.65,-1.23,;6.42,.1,;7.92,.42,;8.08,1.95,;6.68,2.58,;5.65,1.44,)|
Structure:
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