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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	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	CHEMBL454919
Molecular formula	C32H36Cl2N2
IUPAC name	(1S,5S)-3-benzyl-8-[bis(2-chlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
Molecular weight	519.554
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	8.4
Synonyms	(rel)-3-benzyl-8-(bis(2-chlorophenyl)methyl)-3-(pyrrolidin-1-ylmethyl)-8-aza-bicyclo[3.2.1]octane BDBM50245825
Inchi Key	AFWWICDZLXWMDM-UIOOFZCWSA-N
Inchi ID	InChI=1S/C32H36Cl2N2/c33-29-14-6-4-12-27(29)31(28-13-5-7-15-30(28)34)36-25-16-17-26(36)22-32(21-25,23-35-18-8-9-19-35)20-24-10-2-1-3-11-24/h1-7,10-15,25-26,31H,8-9,16-23H2/t25-,26-/m0/s1
PubChem CID	44562636
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50245825
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	116.0 nM	PMID18990569	BindingDB

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