| Reaction Details |
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 | Report a problem with these data |
| Target | GTPase KRas |
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| Ligand | BDBM50597319 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2223229 (CHEMBL5136563) |
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| IC50 | <1.000000±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| GTPase KRas |
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| Name: | GTPase KRas |
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| Synonyms: | GTPase KRas, N-terminally processed | K-Ras 2 | KRAS | KRAS2 | Ki-Ras | RASK2 | RASK_HUMAN | c-K-ras | c-Ki-ras |
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| Type: | PROTEIN |
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| Mol. Mass.: | 21656.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1476955 |
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| Residue: | 189 |
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| Sequence: | MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM
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| BDBM50597319 |
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| n/a |
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| Name | BDBM50597319 |
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| Synonyms: | CHEMBL5189930 |
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| Type | Small organic molecule |
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| Emp. Form. | C94H144N28O20S2 |
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| Mol. Mass. | 2050.455 |
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| 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| |
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| Structure | 
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