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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL516085
Molecular formula	C30H28N2O5
IUPAC name	[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] isoquinoline-3-carboxylate
Molecular weight	496.563
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50266886 (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-17-yl isoquinoline-3-carboxylate
Inchi Key	AKIHQQGZUGZPDK-BJXGRRSKSA-N
Inchi ID	InChI=1S/C30H28N2O5/c33-22-8-7-19-14-24-30(37-28(35)21-13-18-3-1-2-4-20(18)15-31-21)10-9-23(34)27-29(30,25(19)26(22)36-27)11-12-32(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,33H,5-6,9-12,14,16H2/t24-,27+,29+,30-/m1/s1
PubChem CID	44582198
ChEMBL	CHEMBL516085
IUPHAR	N/A
BindingDB	50266886
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID19217280	ChEMBL
Ki	68.0 nM	PMID19217280	BindingDB
Ki	68.4 nM	PMID19217280	ChEMBL

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