Target
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049]
Ligand
BDBM472547
Substrate
n/a
Meas. Tech.
TBDAlphaScreen Binding Assay
IC50
38.0±n/a nM
Citation
 Ramharter, JKofink, CStadtmueller, HWunberg, T Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors US Patent  US10829487 Publication Date 11/10/2020 
Target
Name:
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049]
Synonyms:
SOS1 and KRAS G12D
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
 
Component 2
Name:
GTPase KRas [1-169,G12D]
Synonyms:
GTPase KRas (KRAS)(1-169)(G12D) | GTPase KRas [1-169] | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
19450.24
Organism:
n/a
Description:
aa 1-169
Residue:
169
Sequence:
MTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
 
Inhibitor
Name:
BDBM472547
Synonyms:
US10829487, Example I-27
Type:
Small organic molecule
Emp. Form.:
C20H21F3N4O
Mol. Mass.:
390.4021
SMILES:
CC(C)n1cc2c(N[C@H](C)c3cccc(c3)C(F)(F)F)nc(C)nc2cc1=O |r|
Structure:
Search PDB for entries with ligand similarity: