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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM239951
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
7±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:
Human
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM239951
Synonyms:
US9403801, 10
Type:
Small organic molecule
Emp. Form.:
C21H28N8O
Mol. Mass.:
408.5
SMILES:
Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CCN(C2)C(=O)CC#N)CC1 |(-6.95,-1.39,;-5.62,-2.16,;-5.62,-3.7,;-4.28,-4.47,;-2.95,-3.7,;-1.62,-4.47,;-.28,-3.7,;-.28,-2.16,;1.18,-1.69,;2.09,-2.93,;3.63,-2.93,;1.18,-4.18,;-2.95,-2.16,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,)|
Structure:
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