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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM246883
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<10±n/a nM
Citation
 Zhou, J; Qiao, L; Weng, L Process for the synthesis of a phosphoinositide 3-kinase inhibitor US Patent  US9732097 Publication Date 8/15/2017 
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:
BDBM246883
Synonyms:
US10005788, 1 (2nd peak, cis-) | US10053465, 22 | US10065963, Compound 22 | US10125150, Example 22 | US10336759, # 22 | US10479803, Example 22 | US10519163, Example 22 | US10675284, Example 22 | US11084822, Example 22 | US11130767, # 22 | US11136326, Example 22 | US11304949, Compound 22 | US11324749, Comp. No. 22 | US11406640, Comp. No. 22 | US11596632, Comp. No. 22 | US9732097, Example 22 | {1-(cis-4-{[4-{[(3S)- 3-hydroxypyrrolidin- 1-yl]methyl}-6- (trifluoromethyl) pyridin-2- yl]oxy}cyclohexyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-3- yl jacetonitrile
Type:
Small organic molecule
Emp. Form.:
C31H34F3N9O2
Mol. Mass.:
621.656
SMILES:
O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,wD:1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)|
Structure:
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