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GLASS

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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	MLS002701634
Molecular formula	C20H12O3
IUPAC name	4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione
Molecular weight	300.313
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.6
Synonyms	4-(2-oxidanylnaphthalen-1-yl)naphthalene-1,2-dione CBMicro_013403 SMSF0004113 2'-hydroxy-1,1'-binaphthalene-3,4-dione AC1L6EYQ cid_265898 NSC-102539 ZINC1674769 4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione BIM-0013151.P001 MCULE-4725065735 NSC628930 MolPort-002-134-455 SR-01000197677 4-(2-hydroxy-1-naphthalenyl)naphthalene-1,2-dione AKOS001582520 CTK7H0699 NSC-628930 [1,1'-Binaphthalene]-3,4-dione, 2'-hydroxy- 4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione CB02984 MLS-0440187.0001 SMR001565235 AB00074882-01 CHEMBL1721095 NCI60_009373 SR-01000197677-1 4-(2-hydroxy-1-naphthyl)-1,2-naphthoquinone BDBM80753 EU-0033338 NSC102539 [ Show all ]
Inchi Key	CEFYNLRCBQRIBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H
PubChem CID	265898
ChEMBL	CHEMBL1721095
IUPHAR	N/A
BindingDB	80753
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92410.0 nM	PubChem BioAssay data set	ChEMBL

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