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Name | Orexin receptor type 1 |
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Species | Rattus norvegicus (Rat) |
Gene | Hcrtr1 |
Synonym | hypocretin (orexin) receptor 1 hypocretin receptor 1 Hypocretin receptor type 1 Hctr1 orexin receptor type 1 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 416 |
Amino acid sequence | MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDERWADELYPKIYHSCFFFVTYLAPLGLMGMAYFQIFRKLWGPQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPSSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS |
UniProt | P56718 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1075232 |
IUPHAR | 321 |
DrugBank | N/A |
Name | CHEMBL3669024 |
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Molecular formula | C20H21F3N8O |
IUPAC name | [5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone |
Molecular weight | 446.438 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | US9115117, 94 BDBM175170 SCHEMBL16031075 |
Inchi Key | GJNMWMFMBLUHOI-DZGCQCFKSA-N |
Inchi ID | InChI=1S/C20H21F3N8O/c1-12-8-16(31-27-5-6-28-31)17(24-9-12)18(32)30-7-3-4-15(13(30)2)29-19-25-10-14(11-26-19)20(21,22)23/h5-6,8-11,13,15H,3-4,7H2,1-2H3,(H,25,26,29)/t13-,15+/m0/s1 |
PubChem CID | 86271868 |
ChEMBL | CHEMBL3669024 |
IUPHAR | N/A |
BindingDB | 175170 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 24.0 nM | None | ChEMBL |
Ki | 38.0 nM | , None | BindingDB,ChEMBL |
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