Reaction Details Report a problem with these data
Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544252
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
34.0±n/a nM
Citation
 Allen, JG; Lanman, BA; Chen, J; Reed, AB; Cee, VJ; Liu, L; Lopez, P; Wurz, RP; Nguyen, TT; Booker, S; Allen, JR; Chu-Moyer, M; Amegadzie, A; Chen, N; Goodman, C; Low, JD; Ma, VV; Minatti, AE; Nishimura, N; Pickrell, AJ; Wang, H; Shin, Y; Siegmund, AC; Yang, KC; Tamayo, NA; Walton, M; Xue, Q Substituted piperazines as KRAS G12C inhibitors US Patent  US11285156 Publication Date 3/29/2022 
Target
Name:
GTPase KRas [1-169,G12C,C118A]
Synonyms:
GTPase KRas | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
PROTEIN
Mol. Mass.:
19407.24
Organism:
Human
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544252
Synonyms:
6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R)- 2,5-dimethyl-4-prop- 2-enoyl-piperazin-1- yl]-7-(2- isopropylphenyl) pyrido [2,3-d]pyrimidin- 2-one | US11285156, Ex.# 124-8
Type:
Small organic molecule
Emp. Form.:
C36H43ClN6O2
Mol. Mass.:
627.219
SMILES:
CC(C)c1ccccc1-c1nc2n(-c3c(ccnc3C(C)C)C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:35.38,wD:31.33,(3.24,2.93,;4.78,2.93,;5.55,4.27,;5.55,1.6,;7.09,1.6,;7.86,.26,;7.09,-1.07,;5.55,-1.07,;4.78,.26,;2.15,.26,;1.38,-1.07,;-.16,-1.07,;-.93,-2.4,;.29,-4.27,;1.83,-4.27,;2.6,-5.6,;1.83,-6.93,;.29,-6.93,;-.48,-5.6,;-2.02,-5.6,;-2.79,-4.27,;-2.79,-6.93,;2.6,-2.93,;4.14,-2.93,;1.83,-1.6,;-2.47,-2.4,;-3.24,-3.74,;-3.24,-1.07,;-2.47,.26,;-3.24,1.6,;-2.47,2.93,;-3.24,4.27,;-2.47,5.6,;-4.78,4.27,;-5.55,2.93,;-4.78,1.6,;-5.55,.26,;-5.55,5.6,;-4.78,6.93,;-7.09,5.6,;-7.86,6.93,;-.93,.26,;-.16,1.6,;1.38,1.6,;2.15,2.93,)|
Structure:
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