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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM305837
Substrate
n/a
Meas. Tech.
Caliper Enzyme Assay
IC50
3521±n/a nM
Citation
 Brown, MF; Dermenci, A; Fensome, A; Gerstenberger, BS; Hayward, MM; Owen, DR; Wright, SW; Xing, LH; Yang, X Pyrazolo[1,5-a]pyrazin-4-yl derivatives US Patent  US10822341 Publication Date 11/3/2020 
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:
BDBM305837
Synonyms:
(1r,3r)-3-(Cyanomethyl)-3-(4-(2-methyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile (trans isomer) | US10144738, Example 36 | US10822341, Example 36 | US11472809, Example 36
Type:
Small organic molecule
Emp. Form.:
C21H19N9
Mol. Mass.:
397.4359
SMILES:
Cc1cc2c(nc(cn2n1)-c1cnn(C)c1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(-5.91,-2.95,;-4.37,-2.95,;-3.47,-1.7,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-3.47,-4.19,;2,-4.49,;2,-6.03,;3.47,-6.5,;4.37,-5.26,;5.91,-5.26,;3.47,-4.01,;-.67,.13,;-1.91,1.04,;-1.44,2.5,;.1,2.5,;.58,1.04,;.87,3.84,;-.67,3.84,;-1.44,5.17,;-2.21,6.5,;1.27,5.32,;2.76,4.93,;2.36,3.44,;4.09,5.7,;5.43,6.47,)|
Structure:
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