Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK1 [574-1154]

Ligand

BDBM493112

Substrate/Competitor

n/a

Meas. Tech.

Enzymatic Inhibition Assay

IC50

0.200±n/a nM

Citation

Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent US10981911 Publication Date 4/20/2021

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase JAK1 [574-1154]

Name:

Tyrosine-protein kinase JAK1 [574-1154]

Synonyms:

JAK1 | JAK1 (aa 574-1154) | JAK1A | JAK1B | JAK1_HUMAN

Type:

Protein

Mol. Mass.:

66641.39

Organism:

Homo sapiens (Human)

Description:

P23458[574-1154]

Residue:

581

Sequence:

SFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISL
AFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFK
VAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECI
ERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPV
TPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKR
FLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLY
HENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDY
LGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECL
MQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKR
LPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK

BDBM493112

n/a

Name

BDBM493112

Synonyms:

2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((1s,3r,5R,7S)-3-hydroxyadamantan-1-yl)acetamide | US10981911, Example 52

Type

Small organic molecule

Emp. Form.

C28H34N6O2

Mol. Mass.

486.6086

SMILES

OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)|

Structure