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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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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	CHEMBL365863
Molecular formula	C29H33N3O2
IUPAC name	4-[[3-(aminomethyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide
Molecular weight	455.602
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50155116 4-[(3-Aminomethyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-N-ethyl-benzamide
Inchi Key	DFULXWMDDNTBGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H33N3O2/c1-2-31-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)17-30)25-15-26-10-11-27(16-25)32(26)18-21-12-13-34-19-21/h3-9,12-14,19,26-27H,2,10-11,15-18,30H2,1H3,(H,31,33)
PubChem CID	44395627
ChEMBL	CHEMBL365863
IUPHAR	N/A
BindingDB	50155116
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	71.0 nM	PMID15482911	BindingDB,ChEMBL
Ratio	3.6 -	PMID15482911	ChEMBL

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