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GLASS

You can:

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	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	CHEMBL290701
Molecular formula	C44H50N4O8S2
IUPAC name	N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide
Molecular weight	827.024
Hydrogen bond acceptor	12
Hydrogen bond donor	4
XlogP	3.6
Synonyms	BDBM50030145 14,14'-[Dithiobis(methylenecarbonylimino)]bis[3-hydroxy-4,5alpha-epoxy-17-(cyclopropylmethyl)morphinan-6-one] bis-(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide)
Inchi Key	CYNYZGWJRWHWPG-CTHHFRLWSA-N
Inchi ID	InChI=1S/C44H50N4O8S2/c49-27-7-5-25-17-31-43(11-9-29(51)39-41(43,35(25)37(27)55-39)13-15-47(31)19-23-1-2-23)45-33(53)21-57-58-22-34(54)46-44-12-10-30(52)40-42(44)14-16-48(20-24-3-4-24)32(44)18-26-6-8-28(50)38(56-40)36(26)42/h5-8,23-24,31-32,39-40,49-50H,1-4,9-22H2,(H,45,53)(H,46,54)/t31-,32-,39+,40+,41+,42+,43-,44-/m1/s1
PubChem CID	44287225
ChEMBL	CHEMBL290701
IUPHAR	N/A
BindingDB	50030145
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.29 nM	PMID7515442	ChEMBL
IC50	3.3 nM	PMID7515442	BindingDB
IC50	3.9 nM	, Bioorg. Med. Chem. Lett., (1995) 5:15:1695	BindingDB,ChEMBL
Inhibition	35.0 %	PMID7515442	ChEMBL
Inhibition	55.0 %	PMID7515442	ChEMBL
Inhibition	63.0 %	PMID7515442	ChEMBL
Inhibition	87.0 %	PMID7515442	ChEMBL

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