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GLASS

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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	nociceptin(1-13)NH2
Molecular formula	C61H100N22O15
IUPAC name	(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight	1381.61
Hydrogen bond acceptor	20
Hydrogen bond donor	22
XlogP	-7.0
Synonyms	H-FGGFTGARKSARK-NH2 nociceptin(1-13)-NH2 BDBM85822 NC(1-13)NH2 OFQ/N D0Y4EW FGGFTGARKSARK Nociceptin analogueNC(1-13)-NH2 Phe-Gly-Gly-Phe-Thr-Gly-Ala-Arg-Lys-Ser-Ala-Arg-Lys-NH2 AKOS024456547 N/OFQ(1-13)NH2 NCGC00167157-01 OFQ/N (1-11) D0Z2XW GTPL1682 Nociceptin Orphanin FQ..1-13..-NH..2.. BDBM50106479 N/OFQ-(1-13)-NH2 nociceptin/orphanin FQ(1-13)NH2 178064-02-3 CHEMBL384755 Demethyl-AMPA Nociceptin (1-13)NH2 orphanin FQ(1-13)NH2 AC1O44IO [ Show all ]
Inchi Key	RHMALYOXPBRJBG-CGUXNFSNSA-N
Inchi ID	InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
PubChem CID	6324645
ChEMBL	CHEMBL384755
IUPHAR	1682
BindingDB	50106479, 85822
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	100.0 %	PMID18624395	ChEMBL
EC50	0.3236 nM	PMID11689082	ChEMBL
EC50	0.78 nM	PMID18624395	BindingDB,ChEMBL
EC50	1.12 nM	PMID11689089	BindingDB,ChEMBL
EC50	7.82 nM	PMID18624395	BindingDB,ChEMBL
Emax	-102.0 %	PMID11689082	ChEMBL
Emax	106.0 %	PMID11689089	ChEMBL
IC50	0.353 nM	PMID11689089	BindingDB,ChEMBL
Ki	0.0398108 - 0.0794328 nM	PMID12967935, PMID10369464, PMID12070757, PMID9191955	IUPHAR
Ki	0.14 nM	PMID15509719	BindingDB
Ki	0.2 nM	PMID15855355	BindingDB
Ki	0.35 nM	PMID18624395	BindingDB,ChEMBL
Ki	0.62 nM	PMID18624395	BindingDB,ChEMBL

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