Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50590547

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2197024 (CHEMBL5109540)

IC50

2100±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

BDBM50590547

n/a

Name

BDBM50590547

Synonyms:

CHEMBL5202742

Type

Small organic molecule

Emp. Form.

C31H32ClFN6O3

Mol. Mass.

591.076

SMILES

Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OC3CCOCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-2.76,-8.02,;-4.09,-7.25,;-5.42,-8.02,;-6.75,-7.26,;-6.75,-5.72,;-7.9,-4.68,;-7.27,-3.28,;-5.74,-3.44,;-5.42,-4.95,;-4.09,-5.71,;-2.76,-4.94,;-2.76,-3.4,;-4.09,-2.63,;-1.43,-2.64,;-.09,-3.41,;1.23,-2.64,;2.56,-3.41,;2.56,-4.93,;3.9,-5.7,;5.23,-4.93,;5.23,-3.39,;6.56,-2.62,;7.9,-3.39,;7.9,-4.93,;6.56,-5.7,;1.24,-5.71,;-.09,-4.94,;-1.42,-5.72,;-1.42,-7.26,;1.23,-1.1,;-.11,-.33,;-.11,1.21,;1.23,1.98,;.12,3.09,;1.21,4.17,;2.32,3.07,;1.21,5.71,;-.12,6.48,;2.54,6.48,;2.54,8.02,;2.56,1.21,;2.56,-.33,)|

Structure