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GLASS

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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	MLS001223988
Molecular formula	C22H28N2O4S
IUPAC name	N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
Molecular weight	416.536
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM79931 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide cid_3228462 SMR000602332 AKOS030481864 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide N-(3,5-dimethylphenyl)-1-p-phenetylsulfonyl-nipecotamide AC1MLTS7 HMS2917B19 ASN 07441754 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide 1-(4-Ethoxy-benzenesulfonyl)-piperidine-3-carboxylic acid (3,5-dimethyl-phenyl)-amide CHEMBL1501952 REGID_FOR_CID_3228462 AKOS000792986 [ Show all ]
Inchi Key	AFLCBYWOVUOJFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O4S/c1-4-28-20-7-9-21(10-8-20)29(26,27)24-11-5-6-18(15-24)22(25)23-19-13-16(2)12-17(3)14-19/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,23,25)
PubChem CID	3228462
ChEMBL	CHEMBL1501952
IUPHAR	N/A
BindingDB	79931
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	<50000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	<88800.0 nM	PubChem BioAssay data set	ChEMBL

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