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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	CHEMBL424987
Molecular formula	C29H30N6O2
IUPAC name	N-ethyl-4-[[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-[3-(2H-tetrazol-5-yl)phenyl]methyl]benzamide
Molecular weight	494.599
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50155081 N-Ethyl-4-{(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-[3-(1H-tetrazol-5-yl)-phenyl]-methyl}-benzamide
Inchi Key	BXXDMDBGBDJJIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30N6O2/c1-2-30-29(36)21-8-6-20(7-9-21)27(22-4-3-5-23(14-22)28-31-33-34-32-28)24-15-25-10-11-26(16-24)35(25)17-19-12-13-37-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17H2,1H3,(H,30,36)(H,31,32,33,34)
PubChem CID	44395511
ChEMBL	CHEMBL424987
IUPHAR	N/A
BindingDB	50155081
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	1500.0 nM	PMID15482911	BindingDB,ChEMBL
Ratio	2100.0 -	PMID15482911	ChEMBL

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