Ki Summary

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Target

Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C]

Ligand

BDBM631501

Substrate/Competitor

n/a

Meas. Tech.

SOS1 KRas(G12C) FRET Assay

IC50

10.2±n/a nM

Citation

Levinson, AM; Houang, E; Leffler, AE; Placzek, A; Ruvinsky, A; Greenwood, JR; Konst, Z; Frye, L HETEROCYCLIC COMPOUNDS AND METHODS OF USE US Patent US20230348424 Publication Date 11/2/2023

More Info.:

Get all data from this article, Assay Method

Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C]

Name:

Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C]

Synonyms:

SOS1 KRas(G12C)

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:

EEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNF
VRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQ
PVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIA
RDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSE
LVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQ
ELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSIN
PPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRV
ESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPS
NPRPGT

Component 2

Name:

GTPase KRas [G12C]

Synonyms:

GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN

Type:

Enzyme Catalytic Domain

Mol. Mass.:

21702.19

Organism:

Homo sapiens (Human)

Description:

P01116[G12C]

Residue:

189

Sequence:

MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM

BDBM631501

n/a

Name

BDBM631501

Synonyms:

N-((R)-1-(3-(difluoromethyl)- 2-fluorophenyl)ethyl)-1-(1- (difluoromethyl)cyclopropyl)- 6-oxo-4-(((S)-quinuclidin-3-yl)amino)-1,6- dihydropyridine-3- carboxamide | US20230348424, Example 84

Type

Small organic molecule

Emp. Form.

C26H29F5N4O2

Mol. Mass.

524.5261

SMILES

C[C@@H](NC(=O)c1cn(c(=O)cc1N[C@@H]1CN2CCC1CC2)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |wD:13.13,1.0,(-3.33,1.16,;-2,1.92,;-.67,1.16,;-.67,-.38,;-2,-1.16,;.67,-1.16,;2,-.38,;3.33,-1.16,;3.33,-2.7,;4.67,-3.46,;2,-3.46,;.67,-2.7,;-.67,-3.46,;-.67,-5,;.67,-5.77,;.67,-7.31,;-.67,-8.08,;-2,-7.31,;-2,-5.77,;-.75,-5.79,;-.39,-7.17,;4.67,-.38,;6,-1.15,;6,.39,;3.58,.7,;4.35,2.04,;2.09,.31,;-2,3.46,;-.67,4.24,;-.67,5.78,;-2,6.54,;-3.33,5.78,;-4.67,6.54,;-4.67,8.08,;-6,5.78,;-3.33,4.24,;-4.67,3.46,)|

Structure