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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.
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GPCR

Name	Mu-type opioid receptor
Species	Bos taurus (Bovine)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	401
Amino acid sequence	MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP
UniProt	P79350
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	CHEMBL3041
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3038199
Molecular formula	C28H31NO5
IUPAC name	(5R)-5-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-3-methylideneoxolan-2-one
Molecular weight	461.558
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	(6R,14R)-17-Cyclopropylmethyl-4,5alpha-epoxy-6beta-methoxy-7alpha-[[(R)-tetrahydro-4-methylene-5-oxofuran]-2-yl]-6,14-ethenomorphinan-3-ol BDBM50013764 5-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-3-methylenetetrahydro-2-furanone
Inchi Key	OZWOAKUHWIGMQA-IXUQSROBSA-N
Inchi ID	InChI=1S/C28H31NO5/c1-15-11-20(33-24(15)31)18-13-26-7-8-28(18,32-2)25-27(26)9-10-29(14-16-3-4-16)21(26)12-17-5-6-19(30)23(34-25)22(17)27/h5-8,16,18,20-21,25,30H,1,3-4,9-14H2,2H3/t18-,20-,21-,25-,26-,27+,28-/m1/s1
PubChem CID	73351274
ChEMBL	CHEMBL3038199
IUPHAR	N/A
BindingDB	50013764
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.0 nM	PMID2165166	BindingDB,ChEMBL
Recovery	10.0 %	PMID2165166	ChEMBL
Recovery	13.0 %	PMID2165166	ChEMBL
Recovery	47.0 %	PMID2165166	ChEMBL
Recovery	53.0 %	PMID2165166	ChEMBL
Recovery	90.0 %	PMID2165166	ChEMBL
Recovery	100.0 %	PMID2165166	ChEMBL

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