Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM113222
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
0.0263±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:
BDBM113222
Synonyms:
US8633206, 141
Type:
Small organic molecule
Emp. Form.:
C19H30N5O6PS
Mol. Mass.:
487.51
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)|
Structure:
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