Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50579993

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146126 (CHEMBL5030406)

IC50

15±n/a nM

Citation

Rosse, G A Series of Pyrazole Analogs Binding to KRASG12C as Potential Cancer Treatment. ACS Med Chem Lett13:11-12 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

GTPase KRas

Name:

GTPase KRas

Synonyms:

Type:

PROTEIN

Mol. Mass.:

21656.10

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1476955

Residue:

189

Sequence:

MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM

BDBM50579993

n/a

Name

BDBM50579993

Synonyms:

CHEMBL5085560

Type

Small organic molecule

Emp. Form.

C35H37ClFN7O2

Mol. Mass.

642.165

SMILES

Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2N(CCc2c1)C(=O)CN1CC[C@H](F)C1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wU:32.37,(9.67,-51.19,;11.14,-50.71,;12.39,-51.62,;13.63,-50.71,;13.15,-49.24,;11.61,-49.25,;10.71,-48,;10.94,-46.48,;9.42,-46.24,;9.18,-47.77,;9.82,-44.75,;8.32,-44.35,;7.93,-45.84,;7.55,-43.02,;8.32,-41.68,;6.01,-43.02,;5.24,-41.69,;15.09,-51.17,;15.41,-52.68,;16.88,-53.16,;18.03,-52.11,;19.57,-52.25,;20.18,-50.83,;19.02,-49.82,;17.69,-50.61,;16.23,-50.14,;20.36,-53.58,;21.9,-53.55,;19.6,-54.92,;20.39,-56.24,;19.79,-57.66,;20.95,-58.67,;22.27,-57.89,;23.69,-58.49,;21.93,-56.38,;12.4,-53.16,;11.07,-53.93,;9.74,-53.16,;11.07,-55.47,;9.74,-56.24,;12.4,-56.24,;13.74,-55.46,;15.2,-55.94,;16.11,-54.69,;15.2,-53.44,;13.74,-53.92,)|

Structure