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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	CHEMBL3264745
Molecular formula	C29H30N2O5
IUPAC name	(1S,11R,15R,16R,17S,19S)-22-benzyl-6-hydroxy-12-prop-2-enyl-2,4,18-trioxa-12,22-diazaheptacyclo[15.4.2.15,9.01,16.011,19.015,19.015,24]tetracosa-5,7,9(24)-trien-23-one
Molecular weight	486.568
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50010656
Inchi Key	CPQZLWPWUDCRPX-HRPGWMCCSA-N
Inchi ID	InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
PubChem CID	90655826
ChEMBL	CHEMBL3264745
IUPHAR	N/A
BindingDB	50010656
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	2.0 nM	PMID24900842	ChEMBL
EC50	2.0 nM	PMID24900842	BindingDB
EC50	6.5 nM	PMID24900842	BindingDB,ChEMBL
Emax	77.2 %	PMID24900842	ChEMBL
Emax	94.6 %	PMID24900842	ChEMBL

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