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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	CHEMBL240941
Molecular formula	C31H44N4O4
IUPAC name	2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-propan-2-ylacetamide
Molecular weight	536.717
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.4
Synonyms	BDBM50200615 N-isopropyl-2-(3-{1-[3-(5-methoxy-2-methylphenoxy)-4-methyl-pentyl]-piperidin-4-yl}-2-oxo-2,3-dihydro-benzimidazol-1-yl)-acetamide
Inchi Key	BHXTYLLOXRKFJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H44N4O4/c1-21(2)28(39-29-19-25(38-6)12-11-23(29)5)15-18-33-16-13-24(14-17-33)35-27-10-8-7-9-26(27)34(31(35)37)20-30(36)32-22(3)4/h7-12,19,21-22,24,28H,13-18,20H2,1-6H3,(H,32,36)
PubChem CID	44437642
ChEMBL	CHEMBL240941
IUPHAR	N/A
BindingDB	50200615
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
Activity	92.0 %	PMID17166723	ChEMBL
IC50	1028.0 nM	PMID17166723	BindingDB,ChEMBL
Ki	20.0 nM	PMID17166723	BindingDB,ChEMBL

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