Reaction Details |
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Target | Bile acid receptor |
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Ligand | BDBM50527040 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1901879 (CHEMBL4404101) |
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EC50 | 0.700000±n/a nM |
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Citation | Chianelli, D; Rucker, PV; Roland, J; Tully, DC; Nelson, J; Liu, X; Bursulaya, B; Hernandez, ED; Wu, J; Prashad, M; Schlama, T; Liu, Y; Chu, A; Schmeits, J; Huang, DJ; Hill, R; Bao, D; Zoll, J; Kim, Y; Groessl, T; McNamara, P; Liu, B; Richmond, W; Sancho-Martinez, I; Phimister, A; Seidel, HM; Badman, MK; Joseph, SB; Laffitte, B; Molteni, V Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem63:3868-3880 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bile acid receptor |
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Name: | Bile acid receptor |
Synonyms: | BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor |
Type: | Nuclear Receptor |
Mol. Mass.: | 55916.24 |
Organism: | Homo sapiens (Human) |
Description: | Q96RI1 |
Residue: | 486 |
Sequence: | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
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BDBM50527040 |
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n/a |
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Name | BDBM50527040 |
Synonyms: | LJN-452 | LJN452 | NVP-LJN452-NXA | Tropifexor |
Type | Small organic molecule |
Emp. Form. | C29H25F4N3O5S |
Mol. Mass. | 603.585 |
SMILES | [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(F)cc(cc2s1)C(O)=O |r,TLB:31:30:2.3:6.7.8| |
Structure |
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