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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM255022
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
3.4±n/a nM
Citation
 Takahashi, K; Watanabe, T; Hayashi, K; Kurihara, K; Nakamura, T; Yamamoto, A; Nishimura, T; Kamiyama, T; Hidaka, Y Tricyclic pyrrolopyridine compound, and JAK inhibitor US Patent  US9475813 Publication Date 10/25/2016 
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:
BDBM255022
Synonyms:
US9475813, 27
Type:
Small organic molecule
Emp. Form.:
C22H27F3N6O
Mol. Mass.:
448.4846
SMILES:
FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CCCC#N)C(=O)c2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.59,-9.23,;1.78,-7.92,;.47,-8.73,;3.09,-7.11,;.97,-6.61,;1.69,-5.25,;.88,-3.94,;1.61,-2.59,;3.15,-2.54,;3.88,-1.18,;3.07,.13,;1.53,.08,;.8,-1.28,;3.79,1.49,;5.33,1.53,;6.06,2.89,;7.6,2.94,;8.33,4.3,;9.87,4.34,;10.6,5.7,;11.32,7.06,;5.25,4.2,;5.98,5.56,;3.71,4.15,;2.9,5.46,;1.36,5.41,;.63,4.06,;-.86,3.69,;-.98,2.15,;.45,1.57,;1.44,2.75,;2.98,2.79,)|
Structure:
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