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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	MLS000733666
Molecular formula	C25H29NO3
IUPAC name	[1-[[2-(furan-2-yl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
Molecular weight	391.511
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	[1-[2-(2-furyl)benzyl]-3-(3-methoxybenzyl)piperidin-3-yl]methanol HMS2597M24 [1-[[2-(furan-2-yl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol MolPort-005-093-977 CHEMBL1582232 [1-[2-(2-furyl)benzyl]-3-m-anisyl-3-piperidyl]methanol HMS3383F03 SMR000317630 BDBM83354 cid_16191320 [1-[[2-(2-furanyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidinyl]methanol [ Show all ]
Inchi Key	BIYPQECYHGGIJC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29NO3/c1-28-22-9-4-7-20(15-22)16-25(19-27)12-6-13-26(18-25)17-21-8-2-3-10-23(21)24-11-5-14-29-24/h2-5,7-11,14-15,27H,6,12-13,16-19H2,1H3
PubChem CID	16191320
ChEMBL	CHEMBL1582232
IUPHAR	N/A
BindingDB	83354
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	<92456.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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