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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Nociceptin receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRL1
Synonym	Kappa-type 3 opioid receptor KOR-3 Orphanin FQ receptor XOR
Disease	N/A for non-human GPCRs
Length	370
Amino acid sequence	MESLFPAPFWEVLYGSHLQGNLSLLSPNHSGLPPHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQATDILLGFWPFGNTLCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALALVVGVPVAIMGSAQVEDEEIECLVEIPDPQDYWGPVFAVSIFLFSFIIPVLIISVCYSLMIRRLHGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETTVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALHREMQVSDRVRSIAKDVALGCKTTETVPRPA
UniProt	P47748
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5492
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	M3P6S
Molecular formula	C22H27NO7S
IUPAC name	[(4R,4aR,7S,7aR,12bS)-3-methyl-7-sulfooxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2,2-dimethylpropanoate
Molecular weight	449.518
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	-0.3
Synonyms	CHEMBL213228 SCHEMBL7668879 D0TH8E
Inchi Key	NEUKRIIKAHFBFQ-JYSMHPMOSA-N
Inchi ID	InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
PubChem CID	21345766
ChEMBL	CHEMBL213228
IUPHAR	N/A
BindingDB	50189251
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	11.0 nM	PMID16777416	BindingDB
Ki	11.2 nM	PMID16777416	ChEMBL

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