Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK1

Ligand

BDBM50243838

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1672940 (CHEMBL4022969)

IC50

85±n/a nM

Citation

Vazquez, ML; Kaila, N; Strohbach, JW; Trzupek, JD; Brown, MF; Flanagan, ME; Mitton-Fry, MJ; Johnson, TA; TenBrink, RE; Arnold, EP; Basak, A; Heasley, SE; Kwon, S; Langille, J; Parikh, MD; Griffin, SH; Casavant, JM; Duclos, BA; Fenwick, AE; Harris, TM; Han, S; Caspers, N; Dowty, ME; Yang, X; Banker, ME; Hegen, M; Symanowicz, PT; Li, L; Wang, L; Lin, TH; Jussif, J; Clark, JD; Telliez, JB; Robinson, RP; Unwalla, R Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J Med Chem61:1130-1152 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase JAK1

Name:

Tyrosine-protein kinase JAK1

Synonyms:

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

BDBM50243838

n/a

Name

BDBM50243838

Synonyms:

CHEMBL4065613

Type

Small organic molecule

Emp. Form.

C14H21N5O3S

Mol. Mass.

339.413

SMILES

COCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)|

Structure