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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	MLS000735366
Molecular formula	C21H28N2O3S
IUPAC name	ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
Molecular weight	388.526
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	CHEMBL1345157 SMR000319337 ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate ZINC13595824 1-[(2-methyl-5-thiazolyl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester BDBM83332 cid_16187535 SR-01000176827 HMS2675D15 1-[(2-methylthiazol-5-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester MolPort-005-118-245 ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylate SR-01000176827-1 MCULE-8385958346 [ Show all ]
Inchi Key	AQDWISRSCBMKHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N2O3S/c1-3-25-20(24)21(11-14-26-18-7-5-4-6-8-18)9-12-23(13-10-21)16-19-15-22-17(2)27-19/h4-8,15H,3,9-14,16H2,1-2H3
PubChem CID	16187535
ChEMBL	CHEMBL1345157
IUPHAR	N/A
BindingDB	83332
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	<92470.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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