Reaction Details
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GTPase KRas
Ligand
BDBM50514375
Substrate
n/a
Meas. Tech.
ChEMBL_1856529 (CHEMBL4357258)
IC50
903±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:
BDBM50514375
Synonyms:
CHEMBL4515333
Type:
Small organic molecule
Emp. Form.:
C29H26ClFN4O2
Mol. Mass.:
516.994
SMILES:
CCc1ccccc1-c1nnc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc12)-c1c(O)cccc1F |(35.05,-26.57,;36.38,-27.34,;37.72,-26.58,;39.05,-27.34,;40.39,-26.58,;40.39,-25.03,;39.05,-24.26,;37.72,-25.04,;36.39,-24.27,;35.05,-25.03,;33.72,-24.26,;33.73,-22.72,;32.41,-21.96,;32.42,-20.42,;31.1,-19.64,;29.76,-20.4,;29.75,-21.94,;31.08,-22.72,;28.43,-19.62,;28.44,-18.08,;27.09,-20.38,;25.76,-19.6,;35.06,-21.97,;35.05,-20.42,;36.38,-19.65,;36.38,-18.11,;37.72,-20.42,;37.73,-21.97,;36.39,-22.73,;39.05,-19.64,;40.38,-20.41,;40.39,-21.95,;41.72,-19.63,;41.71,-18.09,;40.36,-17.33,;39.04,-18.11,;37.7,-17.35,)|
Structure:
