Reaction Details |
| Report a problem with these data |
Target | GTPase KRas |
---|
Ligand | BDBM50597319 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2223229 (CHEMBL5136563) |
---|
IC50 | <1.000000±n/a nM |
---|
Citation | Garrigou, M; Sauvagnat, B; Duggal, R; Boo, N; Gopal, P; Johnston, JM; Partridge, A; Sawyer, T; Biswas, K; Boyer, N Accelerated Identification of Cell Active KRAS Inhibitory Macrocyclic Peptides using Mixture Libraries and Automated Ligand Identification System (ALIS) Technology. J Med Chem65:8961-8974 (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: | MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM
|
|
|
BDBM50597319 |
---|
n/a |
---|
Name | BDBM50597319 |
Synonyms: | CHEMBL5189930 |
Type | Small organic molecule |
Emp. Form. | C94H144N28O20S2 |
Mol. Mass. | 2050.455 |
SMILES | [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r| |
Structure |
|