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GLASS

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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	CHEMBL3361425
Molecular formula	C22H30N6O
IUPAC name	4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide
Molecular weight	394.523
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	1.6
Synonyms	BDBM50029096 N-(2-Guanidinoethyl)-1-benzyl-4-(phenylamino)piperidine-4-carboxamide
Inchi Key	SCPYAGLHLAAYFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
PubChem CID	101882819
ChEMBL	CHEMBL3361425
IUPHAR	N/A
BindingDB	50029096
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2486.0 nM	PMID25268943	BindingDB,ChEMBL

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