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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	spiropiperidine analogue, 36
Molecular formula	C35H42Cl2N4O
IUPAC name	8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclohexylmethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	605.648
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	8.2
Synonyms	8-[bis(2-chlorophenyl)methyl]-3-{2-[(cyclohexylmethyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one CHEMBL501088 BDBM26915
Inchi Key	AQGQQVZAISJFLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H42Cl2N4O/c36-31-17-9-7-15-29(31)33(30-16-8-10-18-32(30)37)39-22-19-35(20-23-39)34(42)40(26-41(35)28-13-5-2-6-14-28)24-21-38-25-27-11-3-1-4-12-27/h2,5-10,13-18,27,33,38H,1,3-4,11-12,19-26H2
PubChem CID	25190595
ChEMBL	CHEMBL501088
IUPHAR	N/A
BindingDB	26915
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1535.0 nM	PMID19147350	PDSP,BindingDB,ChEMBL

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