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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	AC1MCIX6
Molecular formula	C19H15ClN6O3S2
IUPAC name	1-(3-chlorophenyl)-3-[[5-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carbonyl]amino]urea
Molecular weight	474.938
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.7
Synonyms	N'-(3-chlorophenylcarbamoyl)-5-methyl-4-[2-(2-methyl-4-thiazolyl)-4-thiazolyl]isoxazole-3-carbohydrazide CHEMBL1524716 ZINC3119959 MLS000834943 CCG-53089 SMR000461459 HMS2795H12 1-(3-chlorophenyl)-3-[[5-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carbonyl]amino]urea MolPort-002-925-027 SR-01000642278-1 MCULE-3985898782 [ Show all ]
Inchi Key	BPEAWAGQVZSVPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN6O3S2/c1-9-15(13-7-31-18(23-13)14-8-30-10(2)21-14)16(26-29-9)17(27)24-25-19(28)22-12-5-3-4-11(20)6-12/h3-8H,1-2H3,(H,24,27)(H2,22,25,28)
PubChem CID	2744894
ChEMBL	CHEMBL1524716
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	92451.0 nM	PubChem BioAssay data set	ChEMBL

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