Ki Summary

Reaction Details

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Target

GTPase KRas [G12C]

Ligand

BDBM609017

Substrate/Competitor

n/a

Meas. Tech.

Scintillation Proximity Assay (SPA)

IC50

4000±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

BDBM609017

n/a

Name

BDBM609017

Synonyms:

US11702409, Example 83a | US11702409, Example 83b

Type

Small organic molecule

Emp. Form.

C30H30ClN7O2

Mol. Mass.

556.058

SMILES

Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCO)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-2.96,-2.11,;-1.49,-1.63,;-.25,-2.54,;1,-1.63,;.52,-.17,;-1.02,-.17,;-1.92,1.08,;-1.68,2.6,;-3.2,2.84,;-3.44,1.32,;-2.96,4.36,;-4.48,4.6,;-4.72,3.08,;-5.39,5.85,;-4.69,7.22,;-6.93,5.85,;-7.7,7.18,;2.47,-2.11,;2.79,-3.61,;4.25,-4.09,;5.39,-3.06,;6.93,-3.22,;7.7,-4.55,;6.93,-5.89,;7.7,-7.22,;7.55,-1.81,;6.41,-.78,;5.07,-1.55,;3.61,-1.08,;-.25,-4.08,;-1.58,-4.85,;-2.91,-4.08,;-1.58,-6.39,;-2.91,-7.16,;-.25,-7.16,;1.09,-6.39,;2.55,-6.86,;3.46,-5.62,;2.55,-4.37,;1.09,-4.85,)|

Structure