Reaction Details |
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Target | Bile acid receptor |
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Ligand | BDBM50226465 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_320795 (CHEMBL884750) |
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Ki | >5000±n/a nM |
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Citation | Meyer, U; Costantino, G; Macchiarulo, A; Pellicciari, R Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study. J Med Chem48:6948-55 (2005) [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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BDBM50226465 |
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n/a |
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Name | BDBM50226465 |
Synonyms: | CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-dione |
Type | Small organic molecule |
Emp. Form. | C21H28O2 |
Mol. Mass. | 312.4458 |
SMILES | CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10| |
Structure |
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