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Target
GTPase KRas [1-169,G12C,C118A]/Son of sevenless homolog 1 [564-1049]
Ligand
BDBM653301
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
10.00±n/a nM
Citation
 LANMAN, BA; BANERJEE, A; CHU-MOYER, M; DAI, D; ESHON, J; HUANG, D; KALLER, MR; LEE, H; LOPEZ, P; MA, VV; MANONI, F; MEDINA, JM; PICKRELL, AJ; STELLWAGEN, JC; SUN, Z; TAMAYO, NA; ZHANG, W; ZHU, K HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE US Patent  US20240059703 Publication Date 2/22/2024
Target
Name:
GTPase KRas [1-169,G12C,C118A]/Son of sevenless homolog 1 [564-1049]
Synonyms:
KRAS/SOS1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Son of sevenless homolog 1 [564-1049]
Synonyms:
SOS1 | SOS1_HUMAN | Son of sevenless homolog 1 (SOS1)(564-1049)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
56970.22
Organism:
n/a
Description:
aa 564-1049
Residue:
486
Sequence:
EEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIARDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPSNPRPGT
 
Inhibitor
Name:
BDBM653301
Synonyms:
1-(6-((1R,9R)-5-fluoro- 10,10-dimethyl-6-(5- methyl-1H-indazol-4- yl)-3- azatricyclo[7.1.1.02,7] undeca-2,4,6-trien-4-yl)-2,6- diazaspiro[3.4]octan-2- yl)-2-propen-1-one | US20240059703, Example 14-72 | US20240059703, Example 14-73 | US20240059703, Example 14-74
Type:
Small organic molecule
Emp. Form.:
C29H32FN5O
Mol. Mass.:
485.5957
SMILES:
Cc1ccc2[nH]ncc2c1-c1c(F)c(nc2[C@@H]3C[C@H](Cc12)C3(C)C)N1CCC2(CN(C2)C(=O)C=C)C1 |r,wU:16.18,18.19,(3.75,-1.43,;3.75,-2.97,;5.08,-3.74,;5.08,-5.28,;3.75,-6.05,;3.43,-7.55,;1.9,-7.71,;1.27,-6.31,;2.42,-5.28,;2.42,-3.74,;1.08,-2.97,;1.08,-1.43,;2.42,-.66,;-.25,-.66,;-1.58,-1.43,;-1.58,-2.97,;-2.92,-3.74,;-1.58,-4.51,;-1.58,-6.05,;-.25,-5.28,;-.25,-3.74,;-2.92,-5.28,;-4.46,-5.28,;-3.32,-6.76,;-.25,.88,;1,1.79,;.52,3.25,;-1.02,3.25,;-.62,4.74,;-2.11,5.14,;-2.51,3.65,;-3.2,6.23,;-2.8,7.71,;-4.69,5.83,;-5.08,4.34,;-1.5,1.79,)|
Structure:
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