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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	Cebranopadol
Molecular formula	C24H27FN2O
IUPAC name	6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Molecular weight	378.491
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	D0R4YE GTPL8866 SCHEMBL14183935 US9120797, 25 7GDW9S3GN3 AS-35183 Cebranopadol(GRT-6005) CHEMBL3545616 EX-A1095 KS-00000632 SCHEMBL566256 (1r,4r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indole]-4-amine A3296 BDBM50101095 CS-1323 GRT-6005 SB16531 UNII-7GDW9S3GN3 6-Fluoro-N,N-dimethyl-1'-phenyl-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS025402576 Cebranopadol (USAN/INN) D10436 HY-15536 SCHEMBL154336 W-6094 863513-91-1 BCP09612 Centrally-acting nociceptin agonist analgesic (oral liquid, pain/diabetic neuropathy), Grunenthal GRT 6005 MolPort-039-063-422 Spiro(cyclohexane-1,1'(3'h)-pyrano(3,4-b)indol)-4-amine, 6'-fluoro-4',9'-dihydro-n,N-dimethyl-4-phenyl-, trans- (1r,4r)-6'-Fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine AK170452 BDBM50101112 D03TBJ GRT6005 SCHEMBL10035739 US9120797, 24 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS032953927 Cebranopadol [USAN:INN] DB12830 KB-145997 SCHEMBL19336241 ZINC3950145 BDBM177926 CHEMBL2364605 CHEMBL3962932 GRT 6005/06 NCGC00378895-01 trans-6'-Fluoro-n,N-dimethyl-4-phenyl-4',9''-dihydro-3'h-spiro(cyclohexane-1,1'-pyrano(3,4-b)indol)-4-amine AKOS025290738 [ Show all ]
Inchi Key	CSMVOZKEWSOFER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
PubChem CID	11848225
ChEMBL	CHEMBL3962932
IUPHAR	8866
BindingDB	177926
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	13.0 nM	PMID24713140	IUPHAR
Ki	0.9 nM	PMID24713140	IUPHAR

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