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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM225914 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Scintillation Proximity Assay (SPA) | ||
| pH | 7.4±n/a | ||
| IC50 | 4640±n/a nM | ||
| Comments | extracted | ||
| Citation |  D3R, DD Drug Design Data Resource Grand Challenge 2 Dataset: FXR - Farnesoid X Receptor D3R D3R Publication Date 4/13/2017 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bile acid receptor | |||
| 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: |
| ||
| BDBM225914 | |||
| n/a | |||
| Name | BDBM225914 | ||
| Synonyms: | FXR_2 | ||
| Type | Small Organic Molecule | ||
| Emp. Form. | C22H19F2N3 | ||
| Mol. Mass. | 363.4032 | ||
| SMILES | Cc1cccc(C)c1Nc1c(nc2cccc(C)n12)-c1c(F)cccc1F |(4.66,-3.37,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.7,-6.94,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;5.4,-4.31,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-.32,-3.97,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,1.36,)| | ||
| Structure | 
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