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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	MLS000714572
Molecular formula	C22H30N2O6
IUPAC name	(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide
Molecular weight	418.49
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	AKOS000799411 SMR000274551 (E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide ZINC4861421 HMS2691F12 (E)-4-(2-HYDROXY-4-METHOXY-PHENYL)-4-OXO-BUT-2-ENOIC ACID CYCLOHEXYLCARBAMOYLMETHYL-(2-METHOXY-ETHYL)-AMIDE ASN 05991101 SR-01000327132 (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxo-2-butenamide CHEMBL1477197 AC1NY924 (E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-methoxyethyl)but-2-enamide BDBM54810 SR-01000327132-1 (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide cid_5770966 [ Show all ]
Inchi Key	AGSSSXPKNBFAAT-ZHACJKMWSA-N
Inchi ID	InChI=1S/C22H30N2O6/c1-29-13-12-24(15-21(27)23-16-6-4-3-5-7-16)22(28)11-10-19(25)18-9-8-17(30-2)14-20(18)26/h8-11,14,16,26H,3-7,12-13,15H2,1-2H3,(H,23,27)/b11-10+
PubChem CID	5770966
ChEMBL	CHEMBL1477197
IUPHAR	N/A
BindingDB	54810
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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