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GLASS

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

Name	Nociceptin receptor
Species	Homo sapiens (Human)
Gene	OPRL1
Synonym	Orphanin FQ receptor OP4 NOPr NOP-r NOP receptor NOCIR nociceptin/orphanin FQ receptor Kappa-type 3 opioid receptor kappa3-related opioid receptor KOR-3 MOR-C N/OFQ receptor nociceptin receptor ORL1 XOR1 [ Show all ]
Disease	Inflammatory disease Major depressive disorder Central nervous system disease Heart failure Anxiety disorder Pain Pain; Stress Psychiatric disorder [ Show all ]
Length	370
Amino acid sequence	MEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
UniProt	P41146
Protein Data Bank	5dhh, 5dhg, 4ea3
GPCR-HGmod model	P41146
3D structure model	This structure is from PDB ID 5dhh.
BioLiP	BL0328039,BL0328040, BL0328041,BL0328042, BL0227293,BL0227294
Therapeutic Target Database	T52921
ChEMBL	CHEMBL2014
IUPHAR	320
DrugBank	BE0002378

Ligand

Name	8-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid Methyl Ester
Molecular formula	C27H29N3O3
IUPAC name	methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
Molecular weight	443.547
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.5
Synonyms	(8-naphtalen-1-ylmethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-3-yl)-acetic acid methyl ester AKOS025402653 J-015801 BDBM50420800 NNC-63-0532 Y1969 (8-Naphthalen-1-ylmethyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-3-yl)-acetic acid methyl ester API0009862 Methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate 73663SY1DT BN0387 SCHEMBL7757872 AK175712 CHEMBL2088036 ZINC1549589 1,3,8-Triazaspiro(4.5)decane-3-acetic acid, 8-(1-naphthalenylmethyl)-4-oxo-1-phenyl-, methyl ester AQMPIDSGLFVVPL-UHFFFAOYSA-N MolPort-003-983-650 8-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4,5]decane-3-acetic acid methyl ester C27H29N3O3 UNII-73663SY1DT [ Show all ]
Inchi Key	AQMPIDSGLFVVPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
PubChem CID	9803475
ChEMBL	CHEMBL2088036
IUPHAR	N/A
BindingDB	50420800
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	121.0 nM	PMID22541041	BindingDB,ChEMBL
Efficacy	103.0 %	PMID22541041	ChEMBL
Ki	12.9 nM	PMID22541041	ChEMBL
Ki	13.0 nM	PMID22541041	BindingDB

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