Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase JAK1
LigandBDBM113144
Substrate/Competitorn/a
Meas. Tech.Enzymatic Assay
pH7.4±n/a
IC50 2.4±n/a nM
Commentsextracted
Citation Promo, MAXie, JAcker, BAHartmann, SJWolfson, SGHuang, HJacobsen, EJ Pyrrolo[2,3-D]pyrimidine compounds US Patent US8633206 Publication Date 1/21/2014
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase JAK1
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:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEEL
CIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTN
DNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQ
DGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRI
NNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMN
WFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIR
EEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAH
HYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVT
CFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFML
KRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSG
TLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRD
VENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNL
LLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFG
TTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRA
IMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDN
TGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLP
SGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIG
DFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDS
DSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRT
SFQNLIEGFEALLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM113144
n/a
NameBDBM113144
Synonyms:US8633206, 62
TypeSmall organic molecule
Emp. Form.C20H31N5O3S
Mol. Mass.421.557
SMILESCN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;-7.85,.39,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: