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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Orexin receptor type 2
Species	Homo sapiens (Human)
Gene	HCRTR2
Synonym	Ox-2-R OX2 receptor Ox2-R OX2R orexin receptor type 2 Hypocretin receptor type 2 hypocretin receptor 2 hypocretin (orexin) receptor 2 [ Show all ]
Disease	Insomnia
Length	444
Amino acid sequence	MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProt	O43614
Protein Data Bank	5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod model	O43614
3D structure model	This structure is from PDB ID 5ws3.
BioLiP	BL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target Database	T69485
ChEMBL	CHEMBL4792
IUPHAR	322
DrugBank	BE0005865

Ligand

Name	MLS001072368
Molecular formula	C23H26N4O
IUPAC name	[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
Molecular weight	374.488
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	MolPort-005-008-443 CHEMBL1727648 SMR000653885 MCULE-3366187848 [3-(3,4-dimethylanilino)piperidino]-[3-(1H-imidazol-2-yl)phenyl]methanone BDBM79942 N-(3,4-dimethylphenyl)-1-[3-(1H-imidazol-2-yl)benzoyl]-3-piperidinamine cid_24819406 [3-(3,4-dimethylanilino)-1-piperidinyl]-[3-(1H-imidazol-2-yl)phenyl]methanone [3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone REGID_FOR_CID_24819406 HMS2949O23 [3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone [ Show all ]
Inchi Key	AFEKICQSZHIMRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O/c1-16-8-9-20(13-17(16)2)26-21-7-4-12-27(15-21)23(28)19-6-3-5-18(14-19)22-24-10-11-25-22/h3,5-6,8-11,13-14,21,26H,4,7,12,15H2,1-2H3,(H,24,25)
PubChem CID	24819406
ChEMBL	CHEMBL1727648
IUPHAR	N/A
BindingDB	79942
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4480.0 nM	PubChem BioAssay data set	ChEMBL
IC50	17100.0 nM	PubChem BioAssay data set	ChEMBL

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