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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	MLS000587743
Molecular formula	C17H13BrF3N3O5
IUPAC name	N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Molecular weight	476.206
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM83326 N''-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide ST51059280 cid_5521786 N'-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (2-Nitro-4-trifluoromethyl-phenyl)-acetic acid [1-(5-bromo-2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide N''-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanehydrazide N-[(1E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-azavinyl]-2-[2-nitro-4-(triflu oromethyl)phenyl]acetamide AC1O9M6V N''-[(E)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide STK378400 N'-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide N''-[(E)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide SMR000211798 AKOS001622560 CHEMBL2001739 N'-[(1E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide MolPort-000-730-487 N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide AC1NV3I5 [ Show all ]
Inchi Key	BKBZUYLYUUBWOV-GZIVZEMBSA-N
Inchi ID	InChI=1S/C17H13BrF3N3O5/c1-29-14-7-12(18)4-10(16(14)26)8-22-23-15(25)5-9-2-3-11(17(19,20)21)6-13(9)24(27)28/h2-4,6-8,26H,5H2,1H3,(H,23,25)/b22-8+
PubChem CID	135521517
ChEMBL	CHEMBL2001739
IUPHAR	N/A
BindingDB	83326
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	<92443.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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