Reaction Details
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GTPase KRas
Ligand
BDBM50459706
Substrate
n/a
Meas. Tech.
ChEMBL_1856530 (CHEMBL4357259)
IC50
831±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 Chem 63:52-65 (2020) [PubMed] Article More Info.:
Target
Name:
GTPase KRas
Synonyms:
GTPase KRas, N-terminally processed | K-Ras 2 | KRAS | KRAS2 | Ki-Ras | RASK2 | RASK_HUMAN | c-K-ras | c-Ki-ras
Type:
PROTEIN
Mol. Mass.:
21656.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1476955
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
Inhibitor
Name:
BDBM50459706
Synonyms:
CHEMBL4214264
Type:
Small organic molecule
Emp. Form.:
C21H17ClF2N4O2
Mol. Mass.:
430.835
SMILES:
Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)|
Structure:
