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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544306
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
25.0±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:
Homo sapiens (Human)
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544306
Synonyms:
19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoyl)-1- piperazinyl)-3-(2- propanyl)-1,23,26- triazapentacyclo[16.6. 2.0~2,7~.0~12,17~.0~ 21,25~]hexacosa- 2,4,6,9,12,14,16,18,20, 22,25-undecaen-24- one | US11285156, Ex.# 146-1-1 | US11285156, Ex.# 146-2 | US11285156, Ex.# 146-2-1
Type:
Small organic molecule
Emp. Form.:
C35H36ClN5O2
Mol. Mass.:
594.146
SMILES:
CC(C)c1cccc2C\C=C\Cc3ccccc3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r,t:9|
Structure:
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