Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK2

Ligand

BDBM50243841

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1672941 (CHEMBL4022970)

IC50

437±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 JAK2

Name:

Tyrosine-protein kinase JAK2

Synonyms:

Type:

Protein

Mol. Mass.:

130684.68

Organism:

Homo sapiens (Human)

Description:

O60674

Residue:

1132

Sequence:

MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSG
EYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYF
PRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLG
MAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQF
SQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSR
GKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLR
EALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQT
GLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNC
YQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKI
RNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASM
MSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWA
MHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVP
PECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAEL
ANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRD
PTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIE
ILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQI
CKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFW
YAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIE
LLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

BDBM50243841

n/a

Name

BDBM50243841

Synonyms:

CHEMBL4077614

Type

Small organic molecule

Emp. Form.

C16H24N6O2S

Mol. Mass.

364.466

SMILES

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)|

Structure