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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM490010
Substrate
n/a
Meas. Tech.
Caliper Enzyme Assay
IC50
0.005±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:
BDBM490010
Synonyms:
US10966980, Example 264
Type:
Small organic molecule
Emp. Form.:
C21H25N5O2S
Mol. Mass.:
411.521
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3ccccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4,;3.34,2.67,;1.8,2.67,;.71,3.76,;-.38,2.67,;-1.92,2.67,;-2.69,1.33,;-1.36,.56,;-4.03,2.1,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-5,-2.67,;-5.77,-4,;-7.31,-4,;-8.08,-2.67,;-7.31,-1.33,;-5.77,-1.33,;-5,,;.71,1.58,;4.11,1.33,;3.34,,;4.11,-1.33,;5.65,-1.33,;6.42,,;7.92,.32,;8.08,1.85,;6.68,2.48,;5.65,1.33,)|
Structure:
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