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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM364410
Substrate
n/a
Meas. Tech.
In Vitro Activity Assay
IC50
1120±n/a nM
Citation
 Gray, NS; Tan, L Hydrophobically tagged janus kinase inhibitors and uses thereof US Patent  US9862688 Publication Date 1/9/2018 
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:
BDBM364410
Synonyms:
US9862688, Compound 3
Type:
Small organic molecule
Emp. Form.:
C39H49ClN8O2
Mol. Mass.:
697.312
SMILES:
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:30.32,26.33,24.25,28.28,THB:25:26:23.24.32:29,27:26:23:32.28.29,(-8,-.38,;-6.67,.39,;-5.33,-.38,;-4,.39,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;,-.38,;1.33,.39,;1.33,1.93,;,2.7,;2.67,-.38,;2.67,-1.92,;4,-2.69,;5.33,-1.92,;6.67,-2.69,;8,-1.92,;9.34,-2.69,;10.67,-1.92,;12,-2.69,;12,-4.23,;13.34,-1.92,;14.67,-2.69,;16,-1.92,;17.34,-2.69,;17.34,-4.23,;18.67,-3.46,;18.67,-1.92,;16.4,-3.74,;14.67,-4.23,;16,-5.01,;17.34,-1.15,;5.33,-.38,;4,.39,;-5.33,2.7,;-6.67,1.93,;-8,2.7,;-9.34,1.93,;-10.67,2.7,;-10.67,4.24,;-12,5.01,;-13.34,4.24,;-13.34,2.7,;-14.67,1.93,;-16,2.7,;-16,4.24,;-17.34,1.93,;-18.67,2.7,;-12,1.93,)|
Structure:
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