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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM398504
Substrate
n/a
Meas. Tech.
JAK1, JAK2 and JAK3 In Vitro Enzyme Assays
IC50
1.91±0.75 nM
Citation
 Bastian, JA; Clayton, JR; Coates, DA; Sall, DJ; Woods, TA Pyrazolylaminobenzimidazole derivatives as JAK inhibitors US Patent  US10323019 Publication Date 6/18/2019 
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:
BDBM398504
Synonyms:
(2R)-1,1,1-Trifluoro-3-[(cis-1-methyl-4-{[1-methyl-4-(1H-pyrazol-3-ylamino)-1H-benzimidazol-6-yl]oxy}cyclohexyl)amino]propan-2-ol | US10323019, Example 8
Type:
Small organic molecule
Emp. Form.:
C21H27F3N6O2
Mol. Mass.:
452.4733
SMILES:
Cn1cnc2c(Nc3cc[nH]n3)cc(O[C@H]3CCC(C)(CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:15.15,wD:24.26,(5.26,.52,;4.86,-.97,;5.76,-2.21,;4.86,-3.46,;3.4,-2.98,;2.06,-3.75,;2.06,-5.29,;.73,-6.06,;.4,-7.57,;-1.13,-7.73,;-1.75,-6.32,;-.6,-5.29,;.73,-2.98,;.73,-1.44,;-.61,-.67,;-.61,.87,;-1.94,1.64,;-1.94,3.18,;-.61,3.95,;.16,5.28,;.73,3.18,;.73,1.64,;-1.7,5.55,;-3.19,5.15,;-4.28,6.24,;-3.88,7.73,;-5.76,5.84,;-6.85,6.93,;-6.16,4.35,;-7.25,5.44,;2.06,-.67,;3.4,-1.44,)|
Structure:
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