Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM113189
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
2.54±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:
BDBM113189
Synonyms:
US8633206, 107
Type:
Small organic molecule
Emp. Form.:
C23H30N6O2S
Mol. Mass.:
454.588
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)|
Structure:
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