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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	Mu-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	98
Amino acid sequence	YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProt	P97266
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	CHEMBL4354
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL80531
Molecular formula	C26H31NO6
IUPAC name	(5S)-5-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxymethyl]-3-methylideneoxolan-2-one
Molecular weight	453.535
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	0.8
Synonyms	17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5alpha-epoxy-6beta-[(tetrahydro-4-methylene-5-oxofuran)-2alpha-ylmethoxy]morphinan BDBM50000789 5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yloxymethyl]-3-methylenetetrahydro-2-furanone
Inchi Key	AYJLAUNORPKULA-NOJKVUSZSA-N
Inchi ID	InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19+,20+,23-,25-,26+/m0/s1
PubChem CID	15663420
ChEMBL	CHEMBL80531
IUPHAR	N/A
BindingDB	50000789
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
% recovery	25.0 -	PMID1320121	ChEMBL
% recovery	62.0 -	PMID1320121	ChEMBL
% recovery	77.0 -	PMID1320121	ChEMBL
IC50	3.4 nM	PMID1320121	BindingDB,ChEMBL

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