Reaction Details |
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Target | Kelch-like ECH-associated protein 1 |
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Ligand | BDBM50180852 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1584808 (CHEMBL3822031) |
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Kd | 4000±n/a nM |
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Citation | Davies, TG; Wixted, WE; Coyle, JE; Griffiths-Jones, C; Hearn, K; McMenamin, R; Norton, D; Rich, SJ; Richardson, C; Saxty, G; Willems, HM; Woolford, AJ; Cottom, JE; Kou, JP; Yonchuk, JG; Feldser, HG; Sanchez, Y; Foley, JP; Bolognese, BJ; Logan, G; Podolin, PL; Yan, H; Callahan, JF; Heightman, TD; Kerns, JK Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J Med Chem59:3991-4006 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Kelch-like ECH-associated protein 1 |
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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
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BDBM50180852 |
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n/a |
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Name | BDBM50180852 |
Synonyms: | CHEMBL3819169 | US10144731, Example 136 |
Type | Small organic molecule |
Emp. Form. | C19H21ClN4O4S |
Mol. Mass. | 436.912 |
SMILES | CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(C)(=O)=O |
Structure |
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