Ki Summary

Reaction Details

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Target

GTPase KRas [G12C]

Ligand

BDBM608876

Substrate/Competitor

n/a

Meas. Tech.

Scintillation Proximity Assay (SPA)

IC50

>50000±n/a nM

Citation

Cotesta, S; Gerspacher, M; Leblanc, C; Lorthiois, EL; Liu, B; Machauer, R; Mah, R; Mura, C; Rigollier, P; Schneider, N; Stutz, S; Vaupel, A; Warin, N; Wilcken, R Pyrazolyl derivatives useful as anti-cancer agents US Patent US11702409 Publication Date 7/18/2023

More Info.:

Get all data from this article, Assay Method

GTPase KRas [G12C]

Name:

GTPase KRas [G12C]

Synonyms:

GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN

Type:

Enzyme Catalytic Domain

Mol. Mass.:

21702.19

Organism:

Homo sapiens (Human)

Description:

P01116[G12C]

Residue:

189

Sequence:

MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM

BDBM608876

n/a

Name

BDBM608876

Synonyms:

US11702409, Example 22a | US11702409, Example 22b

Type

Small organic molecule

Emp. Form.

C31H31ClN6O2

Mol. Mass.

555.07

SMILES

CC(=O)N1CCc2cc(ccc12)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(7.89,-5.28,;6.35,-5.28,;5.58,-6.61,;5.58,-3.94,;6.2,-2.54,;5.06,-1.51,;3.73,-2.28,;2.26,-1.8,;1.12,-2.83,;1.44,-4.34,;2.9,-4.81,;4.05,-3.78,;-.35,-2.36,;-.82,-.89,;-2.36,-.89,;-3.13,.44,;-4.62,.84,;-4.22,2.33,;-2.73,1.93,;-5.71,2.73,;-5.31,4.22,;-3.82,3.82,;-6.4,5.3,;-7.89,4.91,;-6,6.79,;-7.09,7.88,;-2.84,-2.36,;-4.3,-2.83,;-1.59,-3.26,;-1.59,-4.8,;-2.93,-5.57,;-4.26,-4.8,;-2.93,-7.11,;-4.26,-7.88,;-1.59,-7.88,;-.26,-7.11,;1.2,-7.59,;2.11,-6.34,;1.2,-5.09,;-.26,-5.57,)|

Structure