Ki Summary

Reaction Details

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Target

GTPase KRas [G12C]

Ligand

BDBM609011

Substrate/Competitor

n/a

Meas. Tech.

Scintillation Proximity Assay (SPA)

IC50

8.00±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

BDBM609011

n/a

Name

BDBM609011

Synonyms:

US11702409, Example 80a | US11702409, Example 80b

Type

Small organic molecule

Emp. Form.

C38H46ClN7O6S

Mol. Mass.

764.333

SMILES

Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)-c1ccc2nn(CCOS(C)(=O)=O)cc2c1)-c1c(Cl)c(C)cc2n(ncc12)C1CCCCO1 |(-8.56,21.58,;-7.07,21.98,;-5.82,21.07,;-4.58,21.98,;-5.05,23.44,;-6.59,23.44,;-7.36,24.77,;-6.96,26.26,;-8.45,26.66,;-8.85,25.17,;-8.05,28.15,;-9.54,28.55,;-9.94,27.06,;-10.63,29.64,;-10.23,31.12,;-12.12,29.24,;-13.21,30.33,;-14.69,29.93,;-12.81,31.81,;-11.72,30.72,;-3.09,21.58,;-2,22.67,;-.51,22.27,;-.11,20.78,;1.26,20.08,;1.02,18.56,;2.11,17.47,;1.71,15.98,;2.8,14.89,;2.4,13.41,;3.89,13.01,;2,11.92,;.91,13.81,;-.5,18.32,;-1.2,19.69,;-2.69,20.09,;-5.82,19.53,;-7.16,18.76,;-8.49,19.53,;-7.16,17.22,;-8.49,16.45,;-5.82,16.45,;-4.49,17.22,;-3.02,16.74,;-2.12,17.99,;-3.02,19.24,;-4.49,18.76,;-2.55,15.28,;-3.58,14.14,;-3.1,12.67,;-1.6,12.35,;-.57,13.5,;-1.04,14.96,)|

Structure