Reaction Details
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GTPase KRas
Ligand
BDBM50514388
Substrate
n/a
Meas. Tech.
ChEMBL_1856530 (CHEMBL4357259)
IC50
28±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:
BDBM50514388
Synonyms:
CHEMBL4449810
Type:
Small organic molecule
Emp. Form.:
C31H30ClFN4O3
Mol. Mass.:
561.046
SMILES:
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(35.18,-28.34,;36.52,-29.12,;36.52,-30.66,;37.86,-28.35,;39.19,-29.12,;40.53,-28.35,;40.52,-26.8,;39.19,-26.04,;37.86,-26.81,;36.53,-26.04,;36.52,-24.51,;37.86,-23.73,;37.86,-22.18,;36.52,-21.42,;36.51,-19.88,;35.19,-22.19,;35.19,-23.74,;33.86,-24.5,;33.86,-26.04,;35.19,-26.8,;33.84,-27.56,;32.54,-23.73,;32.55,-22.18,;31.23,-21.41,;29.89,-22.17,;29.88,-23.71,;31.21,-24.5,;31.21,-26.03,;28.56,-21.39,;28.57,-19.85,;27.22,-22.15,;25.89,-21.37,;39.18,-21.41,;40.52,-22.18,;40.53,-23.71,;41.85,-21.41,;41.85,-19.87,;40.5,-19.1,;39.17,-19.88,;37.84,-19.12,)|
Structure:
