Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50590848

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2198434 (CHEMBL5110950)

97±n/a nM

Citation

Li, L; Zhao, H; Peng, X; Liu, J; Mai, R; Chen, J; Lin, L; Chen, T; Yan, J; Shi, J; Chen, J Discovery of novel Quinazoline-based KRAS G12C inhibitors as potential anticancer agents. 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

BDBM50590848

n/a

Name

BDBM50590848

Synonyms:

CHEMBL5191782

Type

Small organic molecule

Emp. Form.

C24H18Cl2FN5O5

Mol. Mass.

546.335

SMILES

COc1ccc(Cl)cc1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O |(-6.36,-2.29,;-5.03,-3.06,;-5.03,-4.6,;-6.36,-5.38,;-6.35,-6.91,;-5.02,-7.68,;-5.02,-9.22,;-3.69,-6.92,;-3.69,-5.38,;-2.35,-4.61,;-2.35,-3.06,;-3.69,-2.29,;-1.02,-2.29,;.31,-3.06,;1.64,-2.29,;2.97,-3.06,;2.98,-4.59,;1.65,-5.37,;.31,-4.6,;-1.02,-5.37,;-1.02,-6.91,;1.64,-.75,;.31,.02,;.31,1.56,;1.64,2.33,;2.97,1.56,;2.97,.02,;1.64,3.87,;.31,4.64,;2.97,4.64,;4.43,4.18,;5.35,5.43,;4.47,6.65,;2.97,6.18,;4.87,8.13,;6.36,8.53,;3.78,9.22,)|

Structure