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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3609619
Molecular formula	C32H30F6N4O5
IUPAC name	[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoate
Molecular weight	664.605
Hydrogen bond acceptor	12
Hydrogen bond donor	5
XlogP	4.5
Synonyms	N/A
Inchi Key	ADPQCWUGLGBPRO-ISCRSJHHSA-N
Inchi ID	InChI=1S/C32H30F6N4O5/c1-17(41-29(45)25(39)12-18-6-8-23(43)9-7-18)28(44)42-27(13-20-15-40-26-5-3-2-4-24(20)26)30(46)47-16-19-10-21(31(33,34)35)14-22(11-19)32(36,37)38/h2-11,14-15,17,25,27,40,43H,12-13,16,39H2,1H3,(H,41,45)(H,42,44)/t17-,25+,27+/m1/s1
PubChem CID	44176458
ChEMBL	CHEMBL3609619
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	91.0 nM	PMID26212775	ChEMBL
Emax	36.0 %	PMID26212775	ChEMBL
Ki	100.0 nM	PMID26212775	ChEMBL

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