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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	SMR000130166
Molecular formula	C22H28N4O3
IUPAC name	N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
Molecular weight	396.491
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.4
Synonyms	HMS2355G22 REGID_for_CID_4579040 AKOS003636481 MLS000519748 SR-01000092677-1 CHEMBL1371990 N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide MCULE-7946527939 BDBM62084 MolPort-002-957-090 STK149253 cid_4579040 N-[1-[(cyclopentylamino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyrazinecarboxamide AC1NDO8A MLS-0079438.0001 SR-01000092677 N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(2-furfuryl)pyrazinamide ZINC2457437 [ Show all ]
Inchi Key	BXSQZDXBPVRFFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
PubChem CID	4579040
ChEMBL	CHEMBL1371990
IUPHAR	N/A
BindingDB	62084
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	32000.0 nM	N/A	BindingDB

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