Ki Summary

Reaction Details

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Target

GTPase KRas

Ligand

BDBM50579987

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2146126 (CHEMBL5030406)

IC50

14±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

BDBM50579987

n/a

Name

BDBM50579987

Synonyms:

CHEMBL5083497 | US11702409, Example 18b

Type

Small organic molecule

Emp. Form.

C34H36ClFN8O

Mol. Mass.

627.154

SMILES

Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)|

Structure