Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | GTPase KRas | ||
Ligand | BDBM50579989 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2146126 (CHEMBL5030406) | ||
IC50 | 12.0±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: | 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: |
| ||
BDBM50579989 | |||
n/a | |||
Name | BDBM50579989 | ||
Synonyms: | CHEMBL5080777 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H34ClN5O2 | ||
Mol. Mass. | 544.087 | ||
SMILES | Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)| | ||
Structure |