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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Orexin receptor type 2
Species	Mus musculus (Mouse)
Gene	Hcrtr2
Synonym	Hypocretin receptor type 2 Ox-2-R Ox2-R Ox2R
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MSSTKLEDSLSRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMECSSMLPGLANKTTLFTVCDEHWGGEVYPKMYHICFFLVTYMAPLCLMILAYLQIFRKLWCRQIPGTSSVVQRKWKQQQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHHRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVVLTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV
UniProt	P58308
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	CHEMBL2434818
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	IPSU
Molecular formula	C23H27N5O2
IUPAC name	2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Molecular weight	405.502
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	2-(1H-Indole-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undecane-1-one BDBM50441375 PCMHOSYCWRRHTG-UHFFFAOYSA-N 2-((1H-indol-3-yl)methyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one CS-6432 KS-00001D7Y 1373765-19-5 SCHEMBL2134885 2-(1H-Indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undecan-1-one HY-13796 AKOS027470240 MolPort-039-338-071 2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)- CHEMBL2435402 ZINC96285053 [ Show all ]
Inchi Key	PCMHOSYCWRRHTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
PubChem CID	56970858
ChEMBL	CHEMBL2435402
IUPHAR	N/A
BindingDB	50441375
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	58.88 nM	PMID23964859	ChEMBL
Ki	59.0 nM	PMID23964859	BindingDB

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