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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	SMR000102164
Molecular formula	C15H17FN4
IUPAC name	2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	272.327
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.1
Synonyms	CHEBI:116368 Oprea1_287217 2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}pyrimidine AB00077583-01 cid_763417 SR-01000201904-1 BDBM38726 MLS000105283 ZINC19536766 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine AC1LG0ZS HMS2395N03 SR-01000201904-3 Cambridge id 5262831 MolPort-002-141-014 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine CHEMBL1531923 SR-01000201904 414880-94-7 AKOS003971138 MCULE-8057217717 Z46210756 2-[4-(3-fluorobenzyl)piperazino]pyrimidine [ Show all ]
Inchi Key	DDFZWZOMOJAGID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17FN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
PubChem CID	763417
ChEMBL	CHEMBL1531923
IUPHAR	N/A
BindingDB	38726
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	92469.0 nM	PubChem BioAssay data set	ChEMBL
EC50	92470.0 nM	N/A	BindingDB

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