UniProt Q96RI1
Bile acid receptor (Q96RI1)
Bile acid receptor (UniProt Q96RI1): 117 experimental structures on GenesisL1, 58 ligands bound, 31 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q96RI1
- Protein
- Bile acid receptor
- Experimental structures
- 117
- Predicted models
- 0
- Ligands
- 58
- Pockets
- 31 · 7 records with a druggable one
Structures
117 records of Q96RI1 in the MolNFT archive: 117 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1OSH | A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR | x-ray diffraction | A | — | — |
| 1OSH | A chemical, genetic, and structural analysis of the nuclear bile acid receptor fxr | x-ray diffraction | A | — | — |
| 3BEJ | Structure of human FXR in complex with MFA-1 and co-activator peptide | x-ray diffraction | A, B | — | — |
| 3BEJ | Structure of human fxr in complex with mfa-1 and co-activator peptide | x-ray diffraction | A, B | — | — |
| 3DCT | FXR with SRC1 and GW4064 | x-ray diffraction | A | — | — |
| 3DCT | Fxr with SRC1 and GW4064 | x-ray diffraction | A | — | — |
| 3DCU | FXR with SRC1 and GSK8062 | x-ray diffraction | A | — | — |
| 3DCU | Fxr with SRC1 and GSK8062 | x-ray diffraction | A | — | — |
| 3FLI | Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X… | x-ray diffraction | A | — | — |
| 3FLI | Discovery of XL335, a highly potent, selective and orally- active agonist of the farnesoid X… | x-ray diffraction | A | — | — |
| 3GD2 | isoxazole ligand bound to farnesoid X receptor (FXR) | x-ray diffraction | A | — | — |
| 3GD2 | Isoxazole ligand bound to farnesoid X receptor (fxr) | x-ray diffraction | A | — | — |
| 3HC5 | FXR with SRC1 and GSK826 | x-ray diffraction | A | — | — |
| 3HC5 | Fxr with SRC1 and GSK826 | x-ray diffraction | A | — | — |
| 3HC6 | FXR with SRC1 and GSK088 | x-ray diffraction | A | — | — |
| 3HC6 | Fxr with SRC1 and GSK088 | x-ray diffraction | A | — | — |
| 3OKH | Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexyl… | x-ray diffraction | A | — | — |
| 3OKH | Crystal structure of human fxr in complex with 2-(4-chlorophenyl)-1… | x-ray diffraction | A | — | — |
| 3OKI | Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2… | x-ray diffraction | A, C | — | — |
| 3OKI | Crystal structure of human fxr in complex with (2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3OLF | Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzim… | x-ray diffraction | A, C | — | — |
| 3OLF | Crystal structure of human fxr in complex with 4-({(2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3OMK | Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidaz… | x-ray diffraction | A, C | — | — |
| 3OMK | Crystal structure of human fxr in complex with (2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3OMM | Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzim… | x-ray diffraction | A, C | — | — |
| 3OMM | Crystal structure of human fxr in complex with 4-({(2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3OOF | Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzim… | x-ray diffraction | A, C | — | — |
| 3OOF | Crystal structure of human fxr in complex with 4-({(2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3OOK | Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzim… | x-ray diffraction | A, C | — | — |
| 3OOK | Crystal structure of human fxr in complex with 4-({(2S)-2-[2-(4… | x-ray diffraction | A, C | — | — |
| 3RUT | FXR with SRC1 and GSK359 | x-ray diffraction | A | — | — |
| 3RUT | Fxr with SRC1 and GSK359 | x-ray diffraction | A | — | — |
| 3RUU | FXR with SRC1 and GSK237 | x-ray diffraction | A | — | — |
| 3RUU | Fxr with SRC1 and GSK237 | x-ray diffraction | A | — | — |
| 3RVF | FXR with SRC1 and GSK2034 | x-ray diffraction | A | — | — |
| 3RVF | Fxr with SRC1 and GSK2034 | x-ray diffraction | A | — | — |
| 4OIV | Structural basis for small molecule NDB as a selective antagonist of FXR | x-ray diffraction | A, B | — | — |
| 4OIV | Structural basis for small molecule ndb as a selective antagonist of fxr | x-ray diffraction | A, B | — | — |
| 4QE6 | Fxr with cdca and ncoa-2 peptide | x-ray diffraction | A | — | — |
| 4QE8 | FXR with DM175 and NCoA-2 peptide | x-ray diffraction | A, B | — | — |
| 4QE8 | Fxr with DM175 and ncoa-2 peptide | x-ray diffraction | A, B | — | — |
| 4WVD | Identification of a novel FXR ligand that regulates metabolism | x-ray diffraction | A, B | — | — |
| 4WVD | Identification of a novel fxr ligand that regulates metabolism | x-ray diffraction | A, B | — | — |
| 5IAW | Novel natural FXR modulator with a unique binding mode | x-ray diffraction | A, B | T73 | — |
| 5IAW | Novel natural fxr modulator with a unique binding mode | x-ray diffraction | A, B | — | — |
| 5ICK | A unique binding model of FXR LBD with feroline | x-ray diffraction | A, B | FEZ | — |
| 5ICK | A unique binding model of fxr lbd with feroline | x-ray diffraction | A, B | — | — |
| 5Q0I | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A | 0X0 | — |
| 5Q0J | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9KV | — |
| 5Q0K | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A | — | — |
| 5Q0L | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9KY | — |
| 5Q0M | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A | 9L1 | — |
| 5Q0N | Ligand binding to FARNESOID-X-RECEPTOR | x-ray diffraction | A, C | 9L4 | 6 (best 0.85) |
| 5Q0N | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9L4 | — |
| 5Q0O | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | CL, 9L7 | — |
| 5Q0P | Ligand binding to FARNESOID-X-RECEPTOR | x-ray diffraction | A, C | 9LA | 5 (best 0.85) |
| 5Q0P | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9LA | — |
| 5Q0Q | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9LD | — |
| 5Q0R | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A | 9LG | — |
| 5Q0S | Ligand binding to farnesoid-X-receptor | x-ray diffraction | A, C | 9LJ | — |
57 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 5 records
- 9R0 · 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid · in 3 records
- 9R3 · 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid · in 3 records
- 33Y · 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate · in 2 records
- 93R · ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate · in 2 records
- 9L4 · 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid · in 2 records
- 9LA · 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid · in 2 records
- D5H · 2-[[2-fluoranyl-4-(3-methoxyphenyl) phenyl]carbamoyl]cyclopentene-1-carboxylic acid · in 2 records
- GWF · Tropifexor · in 2 records
- JN3 · Chenodeoxycholic acid · in 2 records
- NIW · 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate · in 2 records
- 064 · 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl) ethenyl]benzoic acid · in 1 record
- 0X0 · 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide · in 1 record
- 643 · 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl) isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid · in 1 record
- 7VX · (4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6A,6B,9,12A-hexamethyl-10-oxidanylidene-1,3,4,5,6,6A,7,8,8A,9,11, 12,13,14B-tetradecahydropicene-4A-carboxylic acid · in 1 record
- 811 · 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1, 2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid · in 1 record
- 93O · 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate · in 1 record
- 93U · 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate · in 1 record
- 9KV · (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide · in 1 record
- 9KY · (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide · in 1 record
- 9L1 · 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid · in 1 record
- 9L7 · (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide · in 1 record
- 9LD · Ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate · in 1 record
- 9LG · N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide · in 1 record
- 9LJ · (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide · in 1 record
- 9LM · 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4, 5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide · in 1 record
- 9LP · Trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate · in 1 record
- 9LS · (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl) acetamide · in 1 record
- 9LV · 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl) benzoic acid · in 1 record
- 9LY · (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide · in 1 record
Elsewhere
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