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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM344101
Substrate
n/a
Meas. Tech.
In Vitro Kinase Assay
IC50
<100±n/a nM
Citation
 Li, Y; Zhu, W; Mei, S; Glenn, J Tricyclic fused thiophene derivatives as JAK inhibitors US Patent  US9908895 Publication Date 3/6/2018 
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:
BDBM344101
Synonyms:
US10370387, Example 85 | US11161855, Example 85 | US9777017, Example 85 | US9908895, Example 85
Type:
Small organic molecule
Emp. Form.:
C22H28N4O4S
Mol. Mass.:
444.547
SMILES:
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)OC2CCOC2)CC1 |r,wU:15.17,1.1,wD:18.21,(-6.92,-1.03,;-5.38,-1.03,;-4.61,.3,;-4.61,-2.37,;-5.23,-3.77,;-4.09,-4.8,;-4.09,-6.34,;-2.76,-7.11,;-1.42,-6.34,;.04,-6.82,;.95,-5.57,;.04,-4.33,;-1.42,-4.8,;-2.76,-4.03,;-3.08,-2.53,;-1.99,-1.44,;-2.39,.05,;-1.3,1.14,;.19,.74,;1.28,1.83,;2.77,1.43,;3.86,2.52,;5.34,2.12,;3.46,4.01,;4.55,5.1,;4.55,6.64,;6.01,7.11,;6.92,5.87,;6.01,4.62,;.59,-.75,;-.5,-1.84,)|
Structure:
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