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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Suvorexant
Molecular formula	C23H23ClN6O2
IUPAC name	[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight	450.927
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.9
Synonyms	2737AH AJ-110996 C23H23ClN6O2 J-690010 MK4305 W-5905 ((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 5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-1,3-benzoxazole MK 4305 BC600366 DTXSID90145616 KS-0000062S SB16485 Suvorexant [USAN:INN] 081L192FO9 AC-30276 BELSOMRA D00OVU GTPL2890 MK 4305 ST2401560 SW219649-1 AK110529 CAS:1030377-33-3;MK-4305 DB09034 JYTNQNCOQXFQPK-MRXNPFEDSA-N MolPort-023-219-189 Suvorexant (JAN/USAN) ZINC49036447 (R)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol BCP0726000197 CHEMBL1083659 EX-A211 Methanone, ((7R)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)- SC-94530 Suvorexant(MK-4305) 1030377-33-3 ACN-029994 Belsomra (TN) D10082 HY-10807 MK-4305 SUV UNII-081L192FO9 5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-1,3-benzoxazole AKOS022185167 CHEBI:82698 DORA-analogue KB-78902 QCR-177 Suvorexant (MK-4305) [(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 (R)-(4-(5-Chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone AB0072958 BDBM50318701 CS-0614 FT-0697203 Methanone, [(7R)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-Methyl-1H-1,4-diazepin-1-yl][5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]- SCHEMBL1586289 Suvorexant; MK 4305 [ Show all ]
Inchi Key	JYTNQNCOQXFQPK-MRXNPFEDSA-N
Inchi ID	InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
PubChem CID	24965990
ChEMBL	CHEMBL1083659
IUPHAR	2890
BindingDB	50318701
DrugBank	DB09034
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
163351	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
163353	Orexin receptor type 1	P58307	Hcrtr1	Mus musculus (Mouse)	416
163352	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
163354	Orexin receptor type 2	P58308	Hcrtr2	Mus musculus (Mouse)	460

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