Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase JAK1
LigandBDBM335511
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
IC50<10±n/a nM
Citation Zhou, JQiao, LWeng, L Process for the synthesis of a phosphoinositide 3-kinase inhibitor US Patent US9732097 Publication Date 8/15/2017
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 | 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:
BDBM335511
NameBDBM335511
Synonyms:US9732097, Example 20 | {1-(cis-4-{[4-(1- hydroxy-1- methylethyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}cyclohexyl)-3- [4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)-1H- pyrazol-1-yl]azetidin- 3-yl}acetonitrile
TypeSmall organic molecule
Emp. Form.C28H31F3N9O2
Mol. Mass.582.6
SMILESCC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2C[N](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.63,2.85,;7.3,3.62,;7.3,5.16,;8.63,4.39,;5.96,2.85,;4.87,3.94,;3.39,3.54,;2.3,4.63,;.81,4.23,;.41,2.75,;-1.08,2.35,;-2.17,3.44,;-1.77,4.92,;-.28,5.32,;-3.65,3.04,;-4.99,3.81,;-5.76,2.48,;-7.24,2.87,;-7.64,4.36,;-8.04,5.85,;-4.42,1.71,;-6.53,1.14,;-6.05,-.32,;-7.3,-1.23,;-8.54,-.32,;-8.07,1.14,;-7.3,-2.77,;-8.63,-3.54,;-8.63,-5.08,;-7.3,-5.85,;-5.96,-5.08,;-4.5,-5.55,;-3.59,-4.31,;-4.5,-3.06,;-5.96,-3.54,;2.99,2.06,;4.08,.97,;5.56,1.37,;3.68,-.52,;2.19,-.92,;4.77,-1.61,;3.28,-2.01,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a