Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50590545

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2197024 (CHEMBL5109540)

IC50

370±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

BDBM50590545

n/a

Name

BDBM50590545

Synonyms:

CHEMBL5206689

Type

Small organic molecule

Emp. Form.

C34H39ClFN7O2

Mol. Mass.

632.171

SMILES

Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OCCCN3CCCCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-4.76,-8.02,;-6.09,-7.25,;-7.42,-8.02,;-8.76,-7.26,;-8.76,-5.72,;-9.9,-4.68,;-9.27,-3.28,;-7.74,-3.44,;-7.42,-4.95,;-6.09,-5.71,;-4.76,-4.94,;-4.76,-3.4,;-6.09,-2.63,;-3.43,-2.64,;-2.09,-3.41,;-.77,-2.64,;.56,-3.41,;.56,-4.93,;1.9,-5.7,;3.23,-4.93,;4.56,-5.7,;5.9,-4.93,;7.23,-5.7,;8.57,-4.93,;9.9,-5.7,;9.9,-7.24,;8.57,-8.01,;7.23,-7.24,;-.76,-5.71,;-2.09,-4.94,;-3.42,-5.72,;-3.42,-7.26,;-.77,-1.1,;-2.11,-.33,;-2.11,1.21,;-.77,1.98,;-1.88,3.09,;-.79,4.17,;.32,3.07,;-.79,5.71,;-2.12,6.48,;.54,6.48,;.54,8.02,;.56,1.21,;.56,-.33,)|

Structure