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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	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

Ligand

Name	Morphinan-3,6.alpha.-diol, 7,8-didehydro-4,5.alpha.-epoxy-17-methyl-
Molecular formula	C17H19NO3
IUPAC name	3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight	285.343
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.8
Synonyms	(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol BDBM86258 SCHEMBL10031250 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol Kadain AC1L1HQY BQJCRHHNABKAKU-UHFFFAOYSA-N 5,7a,8,9-Tetrahydro-12-methyl-4aH-8,9c-(iminoethano)phenanthro[4,5-bcd]furan-3,5-diol L000799 AC1Q7AUG NSC_5980 17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol CAS_23552-18-3 Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)- [ Show all ]
Inchi Key	BQJCRHHNABKAKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
PubChem CID	4253
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86258
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	1.02 nM	PMID7932177	PDSP
Ki	1.1 nM	PMID17887741	PDSP
Ki	1.1 nM	PMID9686407	PDSP
Ki	2.0 nM	PMID7815359	PDSP
Ki	2.06 nM	PMID15054115	PDSP,BindingDB
Ki	2.2 nM	PMID12513698	PDSP
Ki	2.55 nM	PMID19627147	PDSP
Ki	4.0 nM	PMID17616524	PDSP,BindingDB
Ki	14.0 nM	PMID8114680	PDSP

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