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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	codeine
Molecular formula	C18H21NO3
IUPAC name	(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular weight	299.37
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.1
Synonyms	metilmorfina 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol phosphate(codeine) Morphine 3-methyl ether 3-o-methylmorphine monohydrate NCGC00257636-01 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol Tox21_200082 Ardinex CHEMBL369475 CODEINE (SEE ALSO: CODEINE PHOSPHATE (CAS 52-28-8)) Codeine polistirex [USAN] Coducept EINECS 200-969-1 (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol (6alpha,13alpha)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- (9CI) 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(Codeine) Morphine-3-methyl ester Novahistine DH AC1Q4DTD ZINC3806721 C06174 Codalgin Forte Codate Codeine Alkaloid Codeine USP DB00318 GTPL1673 10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ol(Dihydrocodeine) Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol N-methylnorcodeine 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-(5alpha, 6alpha)-morphinan 6-ol OROGSEYTTFOCAN-DNJOTXNNSA-N AKOS015955539 CCRIS 7555 CODEINE BASE codeinum DSSTox_RID_75524 (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol LS-1695 Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl- 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine (H3PO4)) morphine monomethy l ether 41444-62-6 (PO4) Norcodeine, N-methyl 76-57-3 UNII-UX6OWY2V7J BDBM50019351 Codeine 0.1 mg/ml in Methanol Codeine solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material D03DIG Epitope ID:120369 (5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol (Codeine) Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol[codeine] Morphine-3-methyl ether 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methylmorphinan-6-alpha-ol O(3)-methylmorphine Actacode Calcidrine Codein Codeine Anhydrate Codeine [INN:BAN] DSSTox_CID_341 (-)-Codeine HSDB 3043 Methylmorphine 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- (8CI) 3-Methylmorphin NCGC00248518-01 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol SCHEMBL3257 AN-23899 CHEBI:16714 Codeine (anhydrous) Codeine polistirex Codicept DTXSID2020341 (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine phosphate) Morphine monomethyl ether Norcodine, N-methyl AC-11114 UX6OWY2V7J BDBM50105098 CHEMBL485 Codeine 1.0 mg/ml in Methanol Codeine solution, analytical standard, for drug analysis, 1.0 mg/mL in methanol FT-0665143 (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (codeine)10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- (9CI) N-methyl norcodine 7,8-didehydro-4,5-ep oxy-3-methoxy-17-methylmorphinan-6-ol O3-Methylmorphine AJ-45661 CAS-76-57-3 codeina Codeine anhydrous Codeine, European Pharmacopoeia (EP) Reference Standard DSSTox_GSID_20341 (1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol l-Codeine [ Show all ]
Inchi Key	OROGSEYTTFOCAN-DNJOTXNNSA-N
Inchi ID	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
PubChem CID	5284371
ChEMBL	CHEMBL485
IUPHAR	1673
BindingDB	50105098, 50019351
DrugBank	DB00318
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	6100.0 nM	PMID17616524	ChEMBL
Emax	81.3 %	PMID17616524	ChEMBL
IC50	105.0 nM	PMID12502358	BindingDB,ChEMBL
IC50	520.0 nM	PMID11585443	BindingDB
Ki	125.893 nM	PMID9686407	IUPHAR
Ki	727.0 nM	PMID18311899	ChEMBL
Ki	6300.0 nM	PMID17616524	ChEMBL

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