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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	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	CHEMBL185668
Molecular formula	C31H35N3O3
IUPAC name	4-[[4-(dimethylcarbamoyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide
Molecular weight	497.639
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.7
Synonyms	1N,1N-dimethyl-4-{4-ethylcarbamoylphenyl[8-(3-furylmethyl)-8-azabicyclo[3.2.1]oct-3-yliden]methyl}benzamide BDBM50155078
Inchi Key	BCWRWAIVCSKANG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H35N3O3/c1-4-32-30(35)24-9-5-22(6-10-24)29(23-7-11-25(12-8-23)31(36)33(2)3)26-17-27-13-14-28(18-26)34(27)19-21-15-16-37-20-21/h5-12,15-16,20,27-28H,4,13-14,17-19H2,1-3H3,(H,32,35)
PubChem CID	44395682
ChEMBL	CHEMBL185668
IUPHAR	N/A
BindingDB	50155078
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	6.7 nM	PMID15482911	BindingDB,ChEMBL
Ratio	1.5 -	PMID15482911	ChEMBL

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