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Target
GTPase KRas [1-169,G12C,C118A]/Son of sevenless homolog 1 [564-1049]
Ligand
BDBM652949
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
6.00±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:
BDBM652949
Synonyms:
(1R,9R)-6-(7- hydroxy-5- quinolinyl)- 10,10-dimethyl- 4-(2-(2- propenoyl)-2,6- diazaspiro[3,4] octan-6-yl)-3- azatricyclo [7.1.1.02,7]undeca- 2,4,6-triene-5- carbonitrile | US20240059703, Example 2-42 | US20240059703, Example 2-46 | US20240059703, Example 2-47
Type:
Small organic molecule
Emp. Form.:
C31H31N5O2
Mol. Mass.:
505.6101
SMILES:
CC1(C)[C@@H]2C[C@H]1c1nc(N3CCC4(CN(C4)C(=O)C=C)C3)c(C#N)c(c1C2)-c1cc(O)cc2ncccc12 |r,wU:5.4,3.3,(-5.12,-4.96,;-3.58,-4.96,;-4.35,-6.29,;-2.25,-5.73,;-2.25,-4.19,;-3.58,-3.42,;-2.25,-2.65,;-2.25,-1.11,;-.92,-.34,;-.92,1.2,;.33,2.11,;-.15,3.57,;-1.69,3.57,;-1.29,5.06,;-2.78,5.46,;-3.17,3.97,;-3.87,6.55,;-3.47,8.04,;-5.35,6.15,;-5.75,4.66,;-2.16,2.11,;.42,-1.11,;1.75,-.34,;3.08,.43,;.42,-2.65,;-.92,-3.42,;-.92,-4.96,;1.75,-3.42,;3.08,-2.65,;4.42,-3.42,;5.75,-2.65,;4.42,-4.96,;3.08,-5.73,;3.08,-7.27,;1.75,-8.04,;.42,-7.27,;.42,-5.73,;1.75,-4.96,)|
Structure:
Search PDB for entries with ligand similarity: