Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50514402

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2262969 (CHEMBL5217980)

12200±n/a nM

Citation

Br�ker, J; Waterson, AG; Smethurst, C; Kessler, D; B�ttcher, J; Mayer, M; Gmaschitz, G; Phan, J; Little, A; Abbott, JR; Sun, Q; Gmachl, M; Rudolph, D; Arnhof, H; Rumpel, K; Savarese, F; Gerstberger, T; Mischerikow, N; Treu, M; Herdeis, L; Wunberg, T; Gollner, A; Weinstabl, H; Mantoulidis, A; Kr�mer, O; McConnell, DB; W Fesik, S Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS J Med Chem65:14614-14629 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

GTPase KRas

Name:

GTPase KRas

Synonyms:

Type:

PROTEIN

Mol. Mass.:

21656.10

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1476955

Residue:

189

Sequence:

MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM

BDBM50514402

n/a

Name

BDBM50514402

Synonyms:

CHEMBL4535757 | US11345701, Compound Amg-510

Type

Small organic molecule

Emp. Form.

C30H30F2N6O3

Mol. Mass.

560.5944

SMILES

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)|

Structure