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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM613504
Substrate
n/a
Meas. Tech.
JAK Enzyme Assay
Ki
0.230±n/a nM
Citation
 Crawford, JJ; Zak, M; Kellar, T; Cheng, Y; Li, W; Romero, FA; Gibbons, P; Zhao, G; Hamilton, G; Goodacre, SC Therapeutic compounds, compositions and methods of use thereof US Patent  US11731943 Publication Date 8/22/2023 
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:
BDBM613504
Synonyms:
1-[1-(cyanomethyl)-4-(4- phenylanilino)cyclohexyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide | US11731943, Example 245
Type:
Small organic molecule
Emp. Form.:
C28H30N6O2
Mol. Mass.:
482.5768
SMILES:
NC(=O)c1cn(nc1NC(=O)C1CC1)C1(CC#N)CCC(CC1)Nc1ccc(cc1)-c1ccccc1 |(.33,3.38,;-1.16,3.78,;-1.56,5.27,;-2.25,2.69,;-1.77,1.23,;-3.02,.32,;-4.26,1.23,;-3.79,2.69,;-4.69,3.94,;-6.22,3.78,;-6.85,2.37,;-7.13,5.02,;-7.29,6.55,;-8.53,5.65,;-3.02,-1.22,;-4.35,-.45,;-5.68,-1.22,;-7.02,-1.99,;-3.79,-2.55,;-3.02,-3.89,;-1.48,-3.89,;-.71,-2.55,;-1.48,-1.22,;-.71,-5.22,;.83,-5.22,;1.6,-3.89,;3.14,-3.89,;3.91,-5.22,;3.14,-6.55,;1.6,-6.55,;5.45,-5.22,;6.22,-6.55,;7.76,-6.55,;8.53,-5.22,;7.76,-3.89,;6.22,-3.89,)|
Structure:
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