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GPCR

Name	Delta-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRD1
Synonym	D-OR-1 DOR opioid receptor OP1 DOP DOPr DOR-1 Delta receptor [ Show all ]
Disease	Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS Major depressive disorder Urinary incontinence Rheumatoid arthritis Premature ejaculation Pain Acute migraine Ischemic heart diseases Acute nonspecific diarrhea; Chronic diarrhea associated with inflammatory bowel disease Alcohol use disorders Anxiety disorder [ Show all ]
Length	372
Amino acid sequence	MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProt	P41143
Protein Data Bank	4rwd, 4rwa, 4n6h
GPCR-HGmod model	P41143
3D structure model	This structure is from PDB ID 4rwd.
BioLiP	BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target Database	T58992
ChEMBL	CHEMBL236
IUPHAR	317
DrugBank	BE0000420

Ligand

Name	MET-enkephalin
Molecular formula	C27H35N5O7S
IUPAC name	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular weight	573.665
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	-2.1
Synonyms	82362-17-2 C11684 DB12668 HY-P0073 Metenkefalin [INN] SCHEMBL632433 [Met5]Enkephalin acetate salt hydrate 1-5-Adrenorphin (human) Adrenorphin (human), 6-de-L-arginine-7-de-L-arginine-8-de-L-valinamide- Enkephalin M Met-Enk N-(N-(N-(N-L-Tyrosylglycyl)glycyl)-L-phenylalanyl)-L-methionine UNII-9JEZ9OD3AS (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid 2-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcarboxamidomethylcarboxamidomethylcarboxamido]-2-phenyl-(1S)-ethylcarboxamido]-4-methylsulfanyl-(2S)-butanoic acid 569T554 BDBM50019056 D0V5WL GTPL1614 Met5-Enkephalin Opioid growth factor [5-Methionine]Enkephalin (S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid 9JEZ9OD3AS CCRIS 4225 DTXSID80332078 KS-00000GEH Methionine enkephalin TYR-GLY-GLY-PHE-MET [Met]-enkephalin 2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid AK545848 CHEMBL13786 ENKEPHALIN, METHIONINE met-enkefalin NCGC00163683-01 YFGBQHOOROIVKG-FKBYEOEOSA-N (2S,5S,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-2-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid 58569-55-4 C-54716 D0Y9EK H-Tyr-Gly-Gly-Phe-Met-OH METENKEFALIN Porcine beta-endorphin 1-5 [Met5]-ENKEPHALIN ([Met]-enkephalin)2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid([Met]-enkephalin AC1L9EIT CHEBI:6618 EINECS 261-335-8 Lupex MolPort-003-938-143 Tyr-Gly-Gly-Phe-Met-OH [Met]enkephalin (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid 2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-1-oxo-3-phenyl-propylamino]-4-methylsulfanyl-butyric acid AKOS030525639 CS-5426 FT-0770482 NSC 374896 ZINC4102171 (Met5)-enkephalin [ Show all ]
Inchi Key	YFGBQHOOROIVKG-FKBYEOEOSA-N
Inchi ID	InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
PubChem CID	443363
ChEMBL	CHEMBL13786
IUPHAR	1614
BindingDB	50019056
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
EC50	1.0 nM	PMID22197670, PMID19362480	BindingDB
EC50	1.03 nM	PMID22197670, PMID19362480	ChEMBL
EC50	47.0 nM	PMID17350835	BindingDB,ChEMBL
IC50	6.4 nM	PMID26465170	ChEMBL
Ki	1.1 nM	PMID16777416	BindingDB,ChEMBL
Ki	1.7 nM	PMID8114680	BindingDB
Ki	2.0 nM	PMID17350835	BindingDB,ChEMBL

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