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Target
GTPase KRas [1-169,G12C,C118A]/Son of sevenless homolog 1 [564-1049]
Ligand
BDBM653019
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
3.00±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:
BDBM653019
Synonyms:
(M)-1-(6- ((1S,8R)-5- methyl-6-(1,5,6- trimethyl-1H- indazol-7-yl)-3- azatricyclo [6.2.1.02,7]undeca- 2,4,6-trien-4-yl)- 2,6- diazaspiro[3.4] octan-2-yl)-2- propen-1-one (2nd eluting isomer) | US20240059703, Example 2-111
Type:
Small organic molecule
Emp. Form.:
C30H35N5O
Mol. Mass.:
481.6318
SMILES:
Cc1cc2cnn(C)c2c(c1C)-c1c2[C@@H]3CC[C@@H](C3)c2nc(N2CCC3(CN(C3)C(=O)C=C)C2)c1C |r,wU:17.19,14.20,(5.55,-3.51,;4.22,-4.28,;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,;2.88,-3.51,;2.88,-1.97,;.22,-3.51,;-1.12,-4.28,;-1.12,-5.82,;-2.45,-6.59,;-3.78,-5.82,;-3.78,-4.28,;-2.3,-4.68,;-2.45,-3.51,;-2.45,-1.97,;-1.12,-1.2,;-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,;.22,-1.97,;1.55,-1.2,)|
Structure:
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