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Target
GTPase KRas [1-169,G12C,C118A]/Son of sevenless homolog 1 [564-1049]
Ligand
BDBM652997
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
24.0±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:
BDBM652997
Synonyms:
1-(6-(3-chloro- 4-(1,6-dimethyl- 1H-indazol-7- yl)-7,7- dimethyl-7,8- dihydro-5H- pyrano[4,3- b]pyridin-2-yl)- 2,6- diazaspiro[3.4] octan-2-yl)-2- propen-1-one | US20240059703, Example 2-89 | US20240059703, Example 2-90 | US20240059703, Example 2-91
Type:
Small organic molecule
Emp. Form.:
C28H31Cl2N5O2
Mol. Mass.:
540.484
SMILES:
Cc1c(Cl)cc2cnn(C)c2c1-c1c(Cl)c(nc2CC(C)(C)OCc12)N1CCC2(CN(C2)C(=O)C=C)C1 |(2.88,-1.97,;2.88,-3.51,;4.22,-4.28,;5.55,-3.51,;4.22,-5.82,;2.88,-6.59,;2.56,-8.1,;1.03,-8.26,;.41,-6.85,;-1.08,-6.45,;1.55,-5.82,;1.55,-4.28,;.22,-3.51,;.22,-1.97,;1.55,-1.2,;-1.12,-1.2,;-2.45,-1.97,;-2.45,-3.51,;-3.78,-4.28,;-3.78,-5.82,;-5.12,-6.59,;-3.78,-7.36,;-2.45,-6.59,;-1.12,-5.82,;-1.12,-4.28,;-1.12,.34,;.13,1.24,;-.35,2.71,;-1.89,2.71,;-1.49,4.2,;-2.98,4.59,;-3.37,3.11,;-4.06,5.68,;-5.55,5.28,;-3.67,7.17,;-4.75,8.26,;-2.36,1.24,)|
Structure:
Search PDB for entries with ligand similarity: