Ki Summary

Reaction Details

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Target

GTPase KRas [G12C]

Ligand

BDBM609006

Substrate/Competitor

n/a

Meas. Tech.

Scintillation Proximity Assay (SPA)

IC50

13300±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

BDBM609006

n/a

Name

BDBM609006

Synonyms:

US11702409, Example 76a | US11702409, Example 76b

Type

Small organic molecule

Emp. Form.

C35H38ClFN8O

Mol. Mass.

641.181

SMILES

Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2N(CCc2c1)C(=N)CN1CC[C@H](F)C1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wU:32.37,(-2.78,3.57,;-1.53,2.66,;-1.53,1.12,;-.07,.65,;.84,1.89,;-.07,3.14,;.33,4.63,;1.67,5.4,;.9,6.73,;-.44,5.96,;2.23,7.5,;1.46,8.83,;.13,8.06,;1.86,10.32,;.77,11.41,;3.35,10.72,;4.43,9.63,;.33,-.84,;-.07,-2.33,;1.02,-3.42,;2.51,-3.02,;3.8,-3.86,;5,-2.89,;4.45,-1.45,;2.91,-1.53,;1.82,-.44,;3.8,-5.4,;2.47,-6.17,;5.14,-6.17,;5.14,-7.71,;3.89,-8.61,;4.37,-10.08,;5.91,-10.08,;6.68,-11.41,;6.38,-8.61,;-2.78,.22,;-2.62,-1.31,;-1.53,-2.4,;-3.86,-2.22,;-3.7,-3.75,;-5.27,-1.59,;-5.43,-.06,;-6.68,.84,;-6.2,2.31,;-4.66,2.31,;-4.18,.84,)|

Structure