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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 | Orexin receptor antagonist 32 |
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Molecular formula | C21H19N5O2S |
IUPAC name | 2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 405.476 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | BDBM97400 SCHEMBL14876838 CHEMBL3642145 US20130102619, 32 |
Inchi Key | XNCRERPJAUJAFZ-GDBMZVCRSA-N |
Inchi ID | InChI=1S/C21H19N5O2S/c1-14-3-4-16(28-18-11-15(12-22)5-9-23-18)13-26(14)21(27)17-6-10-29-19(17)20-24-7-2-8-25-20/h2,5-11,14,16H,3-4,13H2,1H3/t14-,16-/m1/s1 |
PubChem CID | 71526568 |
ChEMBL | CHEMBL3642145 |
IUPHAR | N/A |
BindingDB | 97400 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6744.0 nM | , None | BindingDB,ChEMBL |
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