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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	MLS001172392
Molecular formula	C16H17Cl2N3O
IUPAC name	5,6-dichloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-carboxamide
Molecular weight	338.232
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	SMR000589034 HMS2878P11 5,6-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-3-pyridinecarboxamide AC1MPBPB 5,6-bis(chloranyl)-N-[2-(dimethylamino)-2-phenyl-ethyl]pyridine-3-carboxamide CHEMBL1388222 5,6-dichloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-carboxamide BDBM83416 cid_3432723 5,6-dichloro-N-[2-(dimethylamino)-2-phenyl-ethyl]nicotinamide [ Show all ]
Inchi Key	AEOFNTZWSKMVEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17Cl2N3O/c1-21(2)14(11-6-4-3-5-7-11)10-20-16(22)12-8-13(17)15(18)19-9-12/h3-9,14H,10H2,1-2H3,(H,20,22)
PubChem CID	3432723
ChEMBL	CHEMBL1388222
IUPHAR	N/A
BindingDB	83416
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	4670.0 nM	PubChem BioAssay data set	ChEMBL

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