Target
Tyrosine-protein kinase JAK1
Ligand
BDBM113158
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.4±n/a
IC50
2.98±n/a nM
Comments
extracted
Citation
 Promo, MAXie, JAcker, BAHartmann, SJWolfson, SGHuang, HJacobsen, 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:
BDBM113158
Synonyms:
US8633206, 76
Type:
Small organic molecule
Emp. Form.:
C19H29N5O4S2
Mol. Mass.:
455.595
SMILES:
CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(C)(=O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.15,.53,;4.81,-.24,;3.48,.53,;3.48,2.07,;2.15,2.84,;.81,2.07,;-.52,2.84,;-1.86,2.07,;-1.86,.53,;-.52,1.3,;-3.19,2.84,;-3.17,4.38,;-4.64,4.86,;-5.54,3.61,;-4.64,2.37,;-7.03,3.21,;-7.43,1.73,;-8.12,4.3,;-8.52,2.81,;.81,.53,;2.15,-.24,;4.81,-1.78,;3.48,-2.55,;3.48,-4.09,;4.81,-4.86,;6.15,-4.09,;7.61,-4.56,;8.52,-3.32,;7.61,-2.07,;6.15,-2.55,)|
Structure:
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