| Reaction Details |
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 | Report a problem with these data |
| 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_1901877 (CHEMBL4404099) |
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| EC50 | 0.500000±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 |
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| 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 |
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| Type: | Nuclear Receptor |
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| Mol. Mass.: | 55916.24 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96RI1 |
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| Residue: | 486 |
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| 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 |
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| Synonyms: | LJN-452 | LJN452 | NVP-LJN452-NXA | Tropifexor |
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| Type | Small organic molecule |
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| Emp. Form. | C29H25F4N3O5S |
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| Mol. Mass. | 603.585 |
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| 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| |
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| Structure | 
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