| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Kelch-like ECH-associated protein 1 |
|---|
| Ligand | BDBM50584857 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2160773 (CHEMBL5045523) |
|---|
| Kd | 27±n/a nM |
|---|
| Citation |  Begnini, F; Geschwindner, S; Johansson, P; Wissler, L; Lewis, RJ; Danelius, E; Luttens, A; Matricon, P; Carlsson, J; Lenders, S; König, B; Friedel, A; Sjö, P; Schiesser, S; Kihlberg, J Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J Med Chem65:3473-3517 (2022) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Kelch-like ECH-associated protein 1 |
|---|
| Name: | Kelch-like ECH-associated protein 1 |
|---|
| Synonyms: | Cytosolic inhibitor of Nrf2 | INRF2 | KEAP1 | KEAP1/Cullin-3/Microtubule-associated protein tau | KEAP1_HUMAN | KIAA0132 | KLHL19 | Kelch-like protein 19 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 69664.53 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_107924 |
|---|
| Residue: | 624 |
|---|
| Sequence: | MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHT
KQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGM
EVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLD
PSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVR
CESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDY
LVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQV
PRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGV
IDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDG
TNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVE
TETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSG
RSGVGVAVTMEPCRKQIDQQNCTC
|
|
|
|---|
| BDBM50584857 |
|---|
| n/a |
|---|
| Name | BDBM50584857 |
|---|
| Synonyms: | CHEMBL5089816 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C30H32F2N4O8S |
|---|
| Mol. Mass. | 646.659 |
|---|
| SMILES | CN(C)C(=O)[C@H]1CSCc2c(cccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N1)-c1cc(F)c(C(O)=O)c(F)c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
