UniProt O43613
Orexin receptor type 1 (O43613)
Orexin receptor type 1 (UniProt O43613): 18 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 12 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- O43613
- Protein
- Orexin receptor type 1
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 12 · 2 records with a druggable one
Structures
19 records of O43613 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4ZJ8 | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | x-ray diffraction | A | — | — |
| 4ZJ8 | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | x-ray diffraction | A | — | — |
| 4ZJC | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | x-ray diffraction | A | — | — |
| 6TO7 | Crystal structure of the orexin-1 receptor in complex with suvorexant at 2.29 a resolution | x-ray diffraction | A, B | SUV, SOG, PGW, NA | — |
| 6TOD | Crystal structure of the orexin-1 receptor in complex with empa | x-ray diffraction | A, B | 7MA, SO4, SOG, PGW, NA | — |
| 6TOS | Crystal structure of the orexin-1 receptor in complex with GSK1059865 | x-ray diffraction | A, B | NRE, SO4, SOG, NA, PGW | — |
| 6TOT | Crystal structure of the Orexin-1 receptor in complex with lemborexant | x-ray diffraction | A, B | NRK, SO4, SOG, PGW | 9 (best 0.87) |
| 6TOT | Crystal structure of the orexin-1 receptor in complex with lemborexant | x-ray diffraction | A, B | NRK, SO4, SOG, PGW | — |
| 6TP3 | Crystal structure of the orexin-1 receptor in complex with daridorexant | x-ray diffraction | A, B | NS2, SO4, PGW, SOG | — |
| 6TP4 | Crystal structure of the orexin-1 receptor in complex with act-462206 | x-ray diffraction | A, B | NRZ, SOG, SO4, PGW | — |
| 6TP6 | Crystal structure of the Orexin-1 receptor in complex with filorexant | x-ray diffraction | A, B | NT5, SO4, SOG, CL, PGW | — |
| 6TP6 | Crystal structure of the orexin-1 receptor in complex with filorexant | x-ray diffraction | A, B | NT5, SO4, SOG, CL, PGW | — |
| 6TQ4 | Crystal structure of the orexin-1 receptor in complex with compound 16 | x-ray diffraction | A, B | NV8, SO4, PGW, SOG, NA | — |
| 6TQ6 | Crystal structure of the orexin-1 receptor in complex with compound 14 | x-ray diffraction | A, B | NVH, SO4, PGW, SOG | — |
| 6TQ7 | Crystal structure of the Orexin-1 receptor in complex with SB-334867 | x-ray diffraction | A, B | NVK, SO4, SOG, PGW | — |
| 6TQ7 | Crystal structure of the orexin-1 receptor in complex with sb-334867 | x-ray diffraction | A, B | NVK, SO4, SOG, PGW | — |
| 6TQ9 | Crystal structure of the orexin-1 receptor in complex with sb-408124 | x-ray diffraction | A, B | NVN, SOG, SO4, PGW | — |
| 6V9S | Structure-based development of subtype-selective orexin 1 receptor antagonists | x-ray diffraction | A | JHC, CLR, OLA | — |
| O43613 | AlphaFold monomer V2.0 prediction for orexin receptor type 1 (O43613) | predicted | A | — | 3 (best 0.80) |
Ligands
- PGW · (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate · in 14 records
- SOG · octyl 1-thio-beta-D-glucopyranoside · in 14 records
- SO4 · Sulfate ion · in 13 records
- NA · Sodium ion · in 4 records
- CL · Chloride ion · in 2 records
- NRK · (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl) oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide · in 2 records
- NT5 · [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone · in 2 records
- NVK · 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea · in 2 records
- 7MA · N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl) sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide · in 1 record
- CLR · Cholesterol · in 1 record
- JHC · [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone · in 1 record
- NRE · [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl) amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone · in 1 record
- NRZ · (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl) sulfonyl-pyrrolidine-2-carboxamide · in 1 record
- NS2 · [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone · in 1 record
- NV8 · 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1, 3-benzoxazole · in 1 record
- NVH · 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl) phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one · in 1 record
- NVN · 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea · in 1 record
- OLA · Oleic acid · in 1 record
- SUV · [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl) phenyl]methanone · in 1 record
Experiment against prediction
- 6TO7 chain A against the predicted model O43613: TM-score 0.96, RMSD 1.53 Å
- 6TQ7 chain A against the predicted model O43613: TM-score 0.96, RMSD 1.59 Å
- 6TQ7 chain A against the predicted model O43613: TM-score 0.96, RMSD 1.59 Å
- 6TQ9 chain B against the predicted model O43613: TM-score 0.96, RMSD 1.61 Å
- 6TQ6 chain B against the predicted model O43613: TM-score 0.96, RMSD 1.62 Å
- 6TP4 chain B against the predicted model O43613: TM-score 0.96, RMSD 1.64 Å
- 6TOT chain B against the predicted model O43613: TM-score 0.96, RMSD 1.64 Å
- 6TOT chain B against the predicted model O43613: TM-score 0.96, RMSD 1.64 Å
- 6TOD chain A against the predicted model O43613: TM-score 0.96, RMSD 1.60 Å
- 6TP6 chain B against the predicted model O43613: TM-score 0.96, RMSD 1.65 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.