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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM225945 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Scintillation Proximity Assay (SPA) | ||
| pH | 7.4±n/a | ||
| IC50 | 175±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: |
| ||
| BDBM225945 | |||
| n/a | |||
| Name | BDBM225945 | ||
| Synonyms: | FXR_35 | ||
| Type | Small Organic Molecule | ||
| Emp. Form. | C27H30ClF2N3O5S | ||
| Mol. Mass. | 582.059 | ||
| SMILES | OS(=O)(=O)O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |wU:5.4,14.22,wD:8.11,(-8.64,-4.9,;-9.78,-5.93,;-10.81,-4.79,;-10.93,-6.96,;-8.75,-7.08,;-7.25,-6.76,;-6.77,-5.29,;-5.26,-4.97,;-4.23,-6.12,;-4.71,-7.58,;-6.21,-7.9,;-2.73,-5.8,;-2.25,-4.33,;-3.28,-3.19,;-.74,-4.01,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;2.35,-7.45,;.84,-7.77,;-.19,-6.62,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;5.2,-2.84,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-7.33,-1.3,;-5.02,.03,;-3.48,.03,)| | ||
| Structure | 
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