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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	MLS001165031
Molecular formula	C20H21N3O2
IUPAC name	2-[4-(cyclopentylamino)quinazolin-2-yl]-6-methoxyphenol
Molecular weight	335.407
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.4
Synonyms	AC1OAJU5 (6E)-6-[4-(cyclopentylamino)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one STK552396 799799-44-3 HMS2873E22 (6E)-6-[4-(cyclopentylamino)-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone AKOS005479791 MolPort-002-588-278 2-[4-(cyclopentylamino)quinazolin-2-yl]-6-methoxyphenol CHEMBL1597289 ZINC96901699 AC1NZZVI MCULE-8474395152 (6E)-6-[4-(cyclopentylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one BDBM58374 SMR000540224 6-[4-(cyclopentylamino)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one cid_5922798 [ Show all ]
Inchi Key	GJRFSBHLTQGPQZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O2/c1-25-17-12-6-10-15(18(17)24)20-22-16-11-5-4-9-14(16)19(23-20)21-13-7-2-3-8-13/h4-6,9-13,24H,2-3,7-8H2,1H3,(H,21,22,23)
PubChem CID	3787353
ChEMBL	CHEMBL1597289
IUPHAR	N/A
BindingDB	N/A
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	92414.0 nM	PubChem BioAssay data set	ChEMBL

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