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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	Biphalin
Molecular formula	C46H56N10O10
IUPAC name	(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight	909.014
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	1.4
Synonyms	(Tyr-ala-gly-phe-NH2)2 Bis(tyrosyl-alanyl-glycyl-phenylalaninamide)hydrazide enkephalin dimer 83916-01-2 D-ENK LS-187519 (2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N''-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]hydrazinecarbonyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]ethyl]-3-(4-hydroxyphenyl)propanamide Dala(2) (Tyrosyl-alanyl-glycyl-phenylalaninamide)dimer L-Phenylalanine, N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-, 2-(N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)hydrazide AC1NUPQ3 D-Enk-O ZINC150345473 (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphen Bis(tyr-ala-gly-phenh2)hydrazide DTXSID80232802 CHEMBL200199 LS-186863 BDBM21014 D0LX5D [ Show all ]
Inchi Key	DESSEGDLRYOPTJ-VRANXALZSA-N
Inchi ID	InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
PubChem CID	5487663
ChEMBL	CHEMBL200199
IUPHAR	N/A
BindingDB	21014
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.0 nM	PMID18821747	BindingDB
EC50	1.0 nM	PMID18821747	ChEMBL
EC50	1.1 nM	PMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592, PMID18266313, PMID17201419	BindingDB,ChEMBL
EC50	1.122 nM	PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592	ChEMBL
EC50	2.5 nM	PMID23623418	ChEMBL
EC50	2.6 nM	PMID18266313	ChEMBL
Emax	27.0 %	PMID16275086, PMID23623418	ChEMBL
Emax	83.0 %	PMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592, PMID18266313	ChEMBL
Emax	84.0 %	PMID17201419	ChEMBL
IC50	1.1 nM	PMID17201419	BindingDB
IC50	1.122 nM	PMID17201419	ChEMBL
IC50	2.5 nM	PMID16275086	BindingDB,ChEMBL
IC50	2.6 nM	PMID16275086, PMID10509931	BindingDB,ChEMBL
Ki	2.6 nM	PMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID18266313, PMID23623418	BindingDB,ChEMBL
logEC50	-9.0 -	PMID18266313	ChEMBL

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