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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	Mus musculus (Mouse)
Gene	Oprm1
Synonym	opioid receptor, mu 1 opioid receptor OP3 Mu receptor MOR-1 MOPr MOP M-OR-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P42866
Protein Data Bank	4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4dkl.
BioLiP	BL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2858
IUPHAR	319
DrugBank	N/A

Ligand

Name	CHEMBL2164300
Molecular formula	C26H36N2O4
IUPAC name	N-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]heptanamide
Molecular weight	440.584
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BDBM50395101
Inchi Key	DEIYKJORPVFGSX-HFXSLSFNSA-N
Inchi ID	InChI=1S/C26H36N2O4/c1-3-5-6-7-8-21(30)27-18-11-12-26(31)20-16-17-9-10-19(29)23-22(17)25(26,24(18)32-23)13-15-28(20)14-4-2/h4,9-10,18,20,24,29,31H,2-3,5-8,11-16H2,1H3,(H,27,30)/t18-,20-,24+,25+,26-/m1/s1
PubChem CID	60195722
ChEMBL	CHEMBL2164300
IUPHAR	N/A
BindingDB	50395101
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	9.5 nM	PMID22734622	BindingDB,ChEMBL

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