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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	SR-01000201524
Molecular formula	C18H24N4O
IUPAC name	2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	312.417
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.7
Synonyms	AC1LGA11 MolPort-002-112-392 2-[4-(4-methoxy-2,3-dimethylbenzyl)-1-piperazinyl]pyrimidine 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine HMS2821A12 BDBM114625 Oprea1_462766 2-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-yl]pyrimidine CHEMBL1403343 SR-01000201524-1 AB00077133-01 MLS001008418 2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyrimidine Cambridge id 5258748 SMR000495945 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazinyl]pyrimidine cid_791369 SR-01000201524-3 [ Show all ]
Inchi Key	IFZHSFXLDNNMOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
PubChem CID	791369
ChEMBL	CHEMBL1403343
IUPHAR	N/A
BindingDB	114625
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	92470.0 nM	N/A	BindingDB
EC50	92498.0 nM	PubChem BioAssay data set	ChEMBL

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