Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM113179
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
1.36±n/a nM
Comments
extracted
Citation
 Promo, MA; Xie, J; Acker, BA; Hartmann, SJ; Wolfson, SG; Huang, H; Jacobsen, EJ Pyrrolo[2,3-D]pyrimidine compounds US Patent  US8633206 Publication Date 1/21/2014 
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:
BDBM113179
Synonyms:
US8633206, 97
Type:
Small organic molecule
Emp. Form.:
C24H32N6O3S2
Mol. Mass.:
516.679
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CSc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-1.97,;5.5,-2.74,;4.17,-1.97,;4.17,-.43,;2.84,.34,;1.5,-.43,;.17,.34,;-1.16,-.43,;-1.16,-1.97,;.17,-1.2,;-2.5,.34,;-2.48,1.88,;-3.95,2.36,;-4.85,1.11,;-5.62,-.22,;-5.94,2.2,;-5.54,3.69,;-6.63,4.78,;-6.23,6.27,;-7.32,7.36,;-8.81,6.96,;-9.21,5.47,;-8.12,4.38,;-3.95,-.13,;1.5,-1.97,;2.84,-2.74,;5.5,-4.28,;4.17,-5.05,;4.17,-6.59,;5.5,-7.36,;6.84,-6.59,;8.3,-7.06,;9.21,-5.82,;8.3,-4.57,;6.84,-5.05,)|
Structure:
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