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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	MLS001239230
Molecular formula	C25H31ClF2N4O3S2
IUPAC name	4-(azepan-1-ylsulfonyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
Molecular weight	573.115
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	None
Synonyms	F2019-2710 MolPort-003-472-539 MCULE-2704053457 SMR000807902 4-(azepan-1-ylsulfonyl)-N-(4,6-difluorobenzo[d]thiazol-2-yl)-N-(3-(dimethylamino)propyl)benzamide hydrochloride CHEMBL1566963 AKOS026680995 [ Show all ]
Inchi Key	BPFGNAQSCUUSSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30F2N4O3S2.ClH/c1-29(2)12-7-15-31(25-28-23-21(27)16-19(26)17-22(23)35-25)24(32)18-8-10-20(11-9-18)36(33,34)30-13-5-3-4-6-14-30;/h8-11,16-17H,3-7,12-15H2,1-2H3;1H
PubChem CID	24892694
ChEMBL	CHEMBL1566963
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92448.0 nM	PubChem BioAssay data set	ChEMBL

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