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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM239954
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
2±n/a nM
Comments
extracted
Citation
 Xi, N; Li, M; Hu, H; Dai, W Substituted heteroaryl compounds and methods of use US Patent  US9403801 Publication Date 8/2/2016 
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:
BDBM239954
Synonyms:
US9403801, 13.3A | US9403801, 13.3B
Type:
Small organic molecule
Emp. Form.:
C17H24ClN7
Mol. Mass.:
361.872
SMILES:
Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1 |(5.29,-2.93,;3.75,-2.93,;2.84,-4.18,;1.38,-3.7,;.05,-4.47,;-1.29,-3.7,;-2.62,-4.47,;-3.96,-3.7,;-3.96,-2.16,;-5.29,-1.39,;-2.62,-1.39,;-2.62,.15,;-1.29,.92,;.05,.15,;1.38,.92,;1.38,2.46,;1.38,4,;2.84,4.47,;3.75,3.23,;2.84,1.98,;.05,3.23,;-1.29,2.46,;-1.29,-2.16,;1.38,-2.16,;2.84,-1.69,)|
Structure:
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