Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50514383

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1856530 (CHEMBL4357259)

IC50

36±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

BDBM50514383

n/a

Name

BDBM50514383

Synonyms:

CHEMBL4554946

Type

Small organic molecule

Emp. Form.

C31H31ClFN5O3

Mol. Mass.

576.061

SMILES

CCc1cccc(CC)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(54.65,-47.19,;54.64,-45.66,;55.97,-44.88,;57.31,-45.65,;58.64,-44.87,;58.62,-43.32,;57.29,-42.57,;57.28,-41.03,;58.6,-40.25,;55.97,-43.34,;54.63,-42.58,;54.63,-41.04,;55.97,-40.27,;55.96,-38.71,;54.62,-37.95,;54.62,-36.41,;53.29,-38.72,;53.29,-40.27,;51.97,-41.03,;51.96,-42.57,;53.29,-43.34,;53.29,-44.88,;50.64,-40.26,;50.65,-38.71,;49.33,-37.94,;47.98,-38.7,;47.97,-40.24,;49.31,-41.03,;49.3,-42.57,;46.65,-37.92,;46.66,-36.38,;45.31,-38.68,;43.97,-37.9,;57.29,-37.94,;58.63,-38.71,;59.96,-39.47,;59.97,-37.94,;59.96,-36.39,;58.61,-35.62,;57.28,-36.41,;55.94,-35.64,)|

Structure