Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50590531

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2197024 (CHEMBL5109540)

IC50

3000±n/a nM

Citation

Imaizumi, T; Akaiwa, M; Abe, T; Nigawara, T; Koike, T; Satake, Y; Watanabe, K; Kaneko, O; Amano, Y; Mori, K; Yamanaka, Y; Nagashima, T; Shimazaki, M; Kuramoto, K Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg Med Chem71:0 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

GTPase KRas

Name:

GTPase KRas

Synonyms:

Type:

PROTEIN

Mol. Mass.:

21656.10

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1476955

Residue:

189

Sequence:

MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM

BDBM50590531

n/a

Name

BDBM50590531

Synonyms:

CHEMBL5199429

Type

Small organic molecule

Emp. Form.

C30H32ClFN8O

Mol. Mass.

575.079

SMILES

CN1CCC(CC1)Nc1nc(N2CC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.18,;7.23,-2.95,;5.9,-2.18,;4.56,-2.95,;4.56,-4.49,;5.9,-5.26,;7.23,-4.49,;3.23,-5.26,;1.9,-4.49,;1.89,-2.96,;.56,-2.2,;.56,-.66,;-.55,.45,;.54,1.54,;-.56,2.64,;.52,3.73,;1.63,2.63,;.52,5.27,;-.81,6.04,;1.86,6.04,;1.86,7.58,;1.65,.43,;-.76,-2.97,;-2.09,-2.2,;-3.43,-2.96,;-4.76,-2.19,;-3.43,-4.5,;-2.09,-5.28,;-2.09,-6.82,;-.76,-4.5,;.58,-5.27,;-4.76,-5.27,;-4.76,-6.81,;-3.43,-7.58,;-6.08,-7.58,;-7.42,-6.82,;-7.42,-5.27,;-8.57,-4.24,;-7.94,-2.84,;-6.41,-3,;-6.09,-4.5,)|

Structure