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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	475150-69-7
Molecular formula	C27H35N3O2
IUPAC name	(2R)-1-benzyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
Molecular weight	433.596
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	0NN BAN ORL 24 HCL C-24 ZINC13679981 Banyu Compound-24 compound 24 [PMID: 16451050] (2R)-1-(Phenylmethyl)-N-[3-(spiro[isobenzofuran-1(3H),4'-piperidin]-1-yl)propyl-2-pyrrolidinecarboxamide ABP000130 BCPP000353 NCGC00387110-02 (R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-1-benzylpyrrolidine-2-carboxamide 1-Benzyl-N-[3-(1'h,3h-Spiro[2-Benzofuran-1,4'-Piperidin]-1'-Yl)propyl]-D-Prolinamide BAN ORL 24HCL BCP02619 D02NSY (2R)-1-Benzyl-N-(3-spiro[isobenzofuran-1(3H),4'-piperidin]-1'-ylpropyl)-2-pyrrolidinecarboxamide (R)-N-(3-(3H-Spiro[isobenzofuran-1,4'-piperidin]-1'-yl)propyl)-1-benzylpyrrolidine-2-carboxamide AKOS027422649 BDBM50181392 QC-2645 1-benzyl-N-[3-spiro[isobenzofuran-1(3H),4''-piperidine]-1-yl]propyl-D-prolineamide BAN-ORL-24 CHEMBL201945 (2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide BCP9000378 GTPL7361 (R)-N-(3-(3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)propyl)-1-benzylpyrrolidine-2-carboxamide [ Show all ]
Inchi Key	MAKMQGKJURAJEN-RUZDIDTESA-N
Inchi ID	InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
PubChem CID	10296561
ChEMBL	CHEMBL201945
IUPHAR	7361
BindingDB	50181392
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	<1000.0 nM	PMID16451050	BindingDB,ChEMBL
IC50	0.1 - 0.27 nM	PMID19445927, PMID16451050	IUPHAR
IC50	0.15 nM	PMID16451050	ChEMBL
IC50	0.15 nM	PMID16451050	BindingDB
IC50	0.27 nM	PMID16451050	ChEMBL
IC50	0.27 nM	PMID16451050	BindingDB
Ki	0.239883 nM	PMID19527931	BindingDB
Ki	0.2399 nM	PMID19527931	ChEMBL
Ki	0.24 nM	PMID19445927	IUPHAR
pKb	9.03 -	PMID19527931	ChEMBL

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