Ki Summary

Reaction Details

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Target

GTPase KRas [G12C]

Ligand

BDBM608852

Substrate/Competitor

n/a

Meas. Tech.

Scintillation Proximity Assay (SPA)

IC50

14800±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

BDBM608852

n/a

Name

BDBM608852

Synonyms:

US11702409, Example 13a | US11702409, Example 13b

Type

Small organic molecule

Emp. Form.

C31H32ClN7O2

Mol. Mass.

570.084

SMILES

CN1CCN(C1=O)c1ccc(cc1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(9.19,-2.83,;7.78,-3.45,;7.46,-4.96,;5.93,-5.12,;5.3,-3.71,;6.45,-2.68,;6.05,-1.2,;3.84,-3.24,;3.52,-1.73,;2.05,-1.26,;.91,-2.29,;1.23,-3.79,;2.69,-4.27,;-.56,-1.81,;-1.03,-.35,;-2.57,-.35,;-3.34,.99,;-4.83,1.39,;-4.43,2.87,;-2.94,2.48,;-5.92,3.27,;-5.52,4.76,;-4.03,4.36,;-6.61,5.85,;-6.21,7.34,;-8.1,5.45,;-9.19,6.54,;-3.05,-1.81,;-4.51,-2.29,;-1.8,-2.72,;-1.8,-4.26,;-3.14,-5.03,;-4.47,-4.26,;-3.14,-6.57,;-4.47,-7.34,;-1.8,-7.34,;-.47,-6.57,;1,-7.04,;1.9,-5.8,;1,-4.55,;-.47,-5.03,)|

Structure