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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	DAMGO
Molecular formula	C26H35N5O6
IUPAC name	(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight	513.595
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	0.2
Synonyms	CHEMBL38874 H-Tyr-D-Ala-Gly-MePhe-Gly-ol RX 783006 Tyr-D-Ala-Gly-N-Me-Phe-Gly-ol [D-Ala2, NMe-Phe4, Gly-ol5]-enkephalin (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide 78123-71-4 Ala(2)-mephe(4)-gly-ol(5) enkephalin D0F8CV Enkephalin, Ala(2)-MePhe(4)-Gly-ol(5)- HY-P0210 Tyr-D-Ala-Gly-(NMe)Phe-Gly-ol Tyr-D-Ala-Gly-NMePhe-Gly-ol (S)-2-amino-N-((R)-1-(2-(((S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl)(methyl)amino)-2-oxoethylamino)-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide 950492-85-0 BDBM21015 Dagol glyol MolPort-023-276-021 Tyr-D-Ala-Gly-N(CH3)Phe-Gly-ol ZINC53092426 (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide 2-Ala-4-mephe-5-gly-enkephalin AC1Q29AA CHEBI:272 CS-0021316 DTXSID30228775 H-Tyr-D-Ala-Gly-N-Me-Phe-Glycinol SCHEMBL725750 Tyr-D-Ala-Gly-N-Methyl-Phe-Gly-ol [tyrosyl-3,5-3H(N)]-D-Ala2-Mephe4-glyol5-enkephalin (2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-methylacetamido}-N-(2-hydroxyethyl)-3-phenylpropanamide 83314-80-1 Ala2-MePhe4-Glyol5-Enkephalin DAGn Enkephalin, alanyl(2)-methylphenylalanyl(4)-glycine(5)- L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-Nalpha-methyl- Tyr-D-Ala-Gly-MePhe-Gly(ol) Tyr-D-Ala2-Gly-NMePhe-Gly-ol 117592-80-0 97777-48-5 C-54725 DAMGE GTPL1647 NCGC00167303-01 Tyr-D-Ala-Gly-N(Me)Phe-Gly-ol [3H]DAMGO (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide AKOS024456435 D-Ala2-MePhe4-Met(0)5-enkephalin-ol Enkephalin, ala(2)-mephe(4)-gly(5)- HPZJMUBDEAMBFI-WTNAPCKOSA-N Tyr-ala-gly-(nme)phe-gly-ol Tyr-D-Ala-Gly-NMe-Phe-Gly-ol (D-Ala(2)-mephe(4)-gly-ol(5))enkephalin 91418-78-9 B6621 DAGO FT-0772476 LS-105734 Tyr-D-Ala-Gly-MePhe-Gly-ol Tyr-DAla-Gly-MePhe-Gly-ol AC1NUWDS C11318 [ Show all ]
Inchi Key	HPZJMUBDEAMBFI-WTNAPCKOSA-N
Inchi ID	InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PubChem CID	5462471
ChEMBL	CHEMBL38874
IUPHAR	1647
BindingDB	21015
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	100.0 %	PMID21866885	ChEMBL
Activity	366.0 %	PMID19217280	ChEMBL
Bmax	9.2 pmol	PMID19113864	ChEMBL
EC50	1.0 nM	PMID17616524	ChEMBL
EC50	1.7 nM	PMID18637671	BindingDB,ChEMBL
EC50	3.0 nM	PMID22724433	BindingDB
EC50	3.0 nM	PMID23477419	BindingDB
EC50	3.04 nM	PMID23477419, PMID22724433	ChEMBL
EC50	3.18 nM	PMID21978284	ChEMBL
EC50	3.2 nM	PMID21978284	BindingDB
EC50	7.5 nM	PMID25783191	BindingDB,ChEMBL
EC50	7.57 nM	PMID25248680	ChEMBL
EC50	7.6 nM	PMID25248680	BindingDB
EC50	8.2 nM	PMID19683449	BindingDB,ChEMBL
EC50	9.6 nM	PMID25783191	BindingDB
EC50	9.61 nM	PMID25783191	ChEMBL
EC50	13.7 nM	PMID12672258	ChEMBL
EC50	14.0 nM	PMID12672258	BindingDB
EC50	15.0 nM	PMID23880538	ChEMBL
EC50	30.0 nM	PMID27096047	BindingDB,ChEMBL
EC50	32.6 nM	PMID24657054	ChEMBL
EC50	33.0 nM	PMID24657054	BindingDB
EC50	35.0 nM	PMID21866885	BindingDB
EC50	35.3 nM	PMID21866885	ChEMBL
EC50	40.0 nM	PMID18380425	BindingDB,ChEMBL
EC50	45.0 nM	PMID19217280, PMID19199782	BindingDB
EC50	45.06 nM	PMID19199782	ChEMBL
EC50	45.1 nM	PMID19217280	ChEMBL
EC50	55.0 nM	PMID17935988, PMID19282177, PMID23434225, PMID16942039, PMID19027293, PMID19091564, PMID22439881, PMID18417347, PMID23142613	BindingDB,ChEMBL
EC50	110.0 nM	PMID17276685, PMID17407276, PMID16392810, PMID17433695, PMID21351746	BindingDB,ChEMBL
EC50	202.0 nM	PMID15380196	BindingDB,ChEMBL
EC50	378.0 nM	PMID24613457	BindingDB,ChEMBL
ED50	34.0 nM	PMID23618710	ChEMBL
ED50	42.0 nM	PMID19627147, PMID17625813, PMID20055417	ChEMBL
Emax	73.0 %	PMID21978284	ChEMBL
Emax	95.0 %	PMID15380196	ChEMBL
Emax	98.1 %	PMID23477419	ChEMBL
Emax	98.14 %	PMID22724433	ChEMBL
Emax	100.0 %	PMID23618710, PMID17625813, PMID20055417	ChEMBL
Emax	116.0 %	PMID17935988, PMID19027293, PMID16942039, PMID23434225, PMID19091564, PMID18417347, PMID23142613	ChEMBL
Emax	120.0 %	PMID19282177, PMID17433695, PMID17407276, PMID21351746, PMID16392810, PMID17276685	ChEMBL
Emax	124.0 %	PMID19683449	ChEMBL
Emax	130.0 %	PMID22439881	ChEMBL
Emax	225.0 %	PMID27096047	ChEMBL
Emax	366.5 %	PMID19199782	ChEMBL
Emax	389.0 %	PMID18062664	ChEMBL
IC50	0.43 nM	PMID26988801, PMID27876250	ChEMBL
IC50	0.68 nM	PMID23466604	ChEMBL
IC50	0.74 nM	PMID23582449	ChEMBL
IC50	1.1 nM	PMID18983139	ChEMBL
IC50	1.6 nM	PMID11906279	BindingDB,ChEMBL
IC50	2.0 nM	PMID20426456	BindingDB,ChEMBL
IC50	2.5 nM	PMID26789491, PMID18588282	BindingDB,ChEMBL
IC50	3.18 nM	PMID20599386	ChEMBL
IC50	3.2 nM	PMID20599386	BindingDB
IC50	4.3 nM	PMID26988801, PMID27876250	BindingDB
IC50	5.0 nM	PMID25087049	ChEMBL
IC50	5.0 nM	PMID25087049	BindingDB
IC50	20.0 nM	PMID23403082	ChEMBL
Imax	73.0 %	PMID20599386	ChEMBL
Inhibition	4.0 %	PMID23403082	ChEMBL
Inhibition	96.0 %	PMID23880538	ChEMBL
Ki	0.28 nM	PMID23466604	ChEMBL
Ki	0.44 nM	PMID18983139	ChEMBL
Ki	0.45 nM	PMID21621410	ChEMBL
Ki	0.45 nM	PMID21621410	BindingDB
Ki	0.5 nM	PMID12672258	BindingDB
Ki	0.5 nM	PMID12672258, PMID9686407	BindingDB,ChEMBL
Ki	0.501187 nM	PMID9686407, PMID6263640	IUPHAR
Ki	0.51 nM	PMID7932177	BindingDB
Ki	0.53 nM	PMID12699761	ChEMBL
Ki	0.53 nM	PMID12699761	BindingDB
Ki	0.56 nM	PMID26125201	ChEMBL
Ki	0.56 nM	PMID26125201	BindingDB
Ki	0.9 nM	PMID19683449, PMID23587424	ChEMBL
Ki	0.9 nM	PMID19683449	BindingDB
Ki	1.2 nM	PMID25599950, PMID23618710, PMID22341895, PMID23880358	BindingDB,ChEMBL
Ki	1.259 nM	PMID26632862	ChEMBL
Ki	1.3 nM	PMID26632862	BindingDB
Ki	1.4 nM	PMID7815359	BindingDB
Ki	1.5 nM	PMID22995061, PMID25051243	BindingDB,ChEMBL
Ki	1.55 nM	PMID21621410	ChEMBL
Ki	1.59 nM	PMID21866885	ChEMBL
Ki	1.6 nM	PMID21866885, PMID21621410	BindingDB
Ki	2.0 nM	PMID8114680	BindingDB
Ki	2.3 nM	PMID25193297	BindingDB,ChEMBL
Ki	2.65 nM	PMID12513698	BindingDB
Ki	2.96 nM	PMID24657054	ChEMBL
Ki	3.0 nM	PMID24657054	BindingDB
Ki	3.3 nM	PMID21621410	BindingDB
Ki	3.34 nM	PMID21621410	ChEMBL
Ki	3.715 nM	PMID17490886	ChEMBL
Ki	3.8 nM	PMID19836950	BindingDB,ChEMBL
Ki	6.7 nM	PMID19113864	BindingDB,ChEMBL
Ki	8.1 nM	PMID23403082	ChEMBL
Ki	14.0 nM	PMID9651168	BindingDB,ChEMBL
Ki	36.7 nM	PMID15380196	ChEMBL
Ki	37.0 nM	PMID15380196	BindingDB
Ki	87.0 nM	PMID26632862	BindingDB
Ki	87.1 nM	PMID26632862	ChEMBL
Ki	2187.76 nM	PMID26632862	ChEMBL
Ki	2188.0 nM	PMID26632862	BindingDB
Log10ED50	7.18 -	PMID18062664	ChEMBL
Ratio	0.8 -	PMID24613457	ChEMBL
Stimulation	100.0 %	PMID12672258	ChEMBL