Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM489965
Substrate
n/a
Meas. Tech.
Caliper Enzyme Assay
IC50
0.003±n/a nM
Citation
 Vazquez, ML; Kaila, N; Tuttle, JB; Verhoest, PR; Reese, MR; Coffman, KJ; Samad, T; Duerr, JM; Sciabola, S; Parikh, MD Pyrrolo[2,3-d]pyrimidine derivatives US Patent  US10966980 Publication Date 4/6/2021 
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:
BDBM489965
Synonyms:
US10966980, Example 219
Type:
Small organic molecule
Emp. Form.:
C18H26N4O2S
Mol. Mass.:
362.49
SMILES:
CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.07,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;3.22,4.31,;1.74,4.71,;3.47,2.46,;3.07,.97,;4.4,1.74,;1.74,.2,;2.51,-1.14,;3.84,-.37,;-.44,1,;-3.07,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.07,-4.71,;-1.74,-3.94,;-.27,-4.42,;.63,-3.17,;-.27,-1.93,;-1.74,-2.4,)|
Structure:
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