Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50514378

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1856529 (CHEMBL4357258)

IC50

51±n/a nM

Citation

Lanman, BA; Allen, JR; Allen, JG; Amegadzie, AK; Ashton, KS; Booker, SK; Chen, JJ; Chen, N; Frohn, MJ; Goodman, G; Kopecky, DJ; Liu, L; Lopez, P; Low, JD; Ma, V; Minatti, AE; Nguyen, TT; Nishimura, N; Pickrell, AJ; Reed, AB; Shin, Y; Siegmund, AC; Tamayo, NA; Tegley, CM; Walton, MC; Wang, HL; Wurz, RP; Xue, M; Yang, KC; Achanta, P; Bartberger, MD; Canon, J; Hollis, LS; McCarter, JD; Mohr, C; Rex, K; Saiki, AY; San Miguel, T; Volak, LP; Wang, KH; Whittington, DA; Zech, SG; Lipford, JR; Cee, VJ Discovery of a Covalent Inhibitor of KRAS J Med Chem63:52-65 (2020) [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

BDBM50514378

n/a

Name

BDBM50514378

Synonyms:

CHEMBL4450657

Type

Small organic molecule

Emp. Form.

C30H29ClFN5O3

Mol. Mass.

562.034

SMILES

CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(27.94,-14.35,;26.62,-15.13,;25.28,-15.89,;26.63,-16.66,;27.96,-17.42,;27.97,-18.97,;26.64,-19.74,;25.31,-18.98,;25.31,-17.44,;23.97,-16.68,;23.97,-15.14,;25.31,-14.36,;25.3,-12.81,;23.96,-12.05,;23.96,-10.51,;22.63,-12.82,;22.63,-14.36,;21.31,-15.13,;21.3,-16.67,;22.63,-17.44,;22.63,-18.97,;19.98,-14.36,;19.99,-12.81,;18.67,-12.04,;17.32,-12.8,;17.31,-14.34,;18.65,-15.13,;18.64,-16.66,;15.99,-12.02,;16,-10.47,;14.65,-12.78,;13.32,-12,;26.63,-12.04,;27.97,-12.81,;26.63,-13.56,;29.31,-12.03,;29.3,-10.49,;27.95,-9.72,;26.62,-10.5,;25.28,-9.74,)|

Structure