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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	fentanyl
Molecular formula	C22H28N2O
IUPAC name	N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight	336.479
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	Fentanyl 0.1 mg/ml in Methanol Fentanyl [USAN:USP:INN:BAN] 437-38-7 Fentanyl-87 9235-EP2298764A1 HY-U00158 9235-EP2314590A1 N-(1-Phenethyl-4-piperidinyl)-N-phenylpropionamide BDBM50008984 N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide CS-7211 PDSP2_000846 DSSTox_GSID_23049 R 4263 Duragesic-50 Tox21_112611 Fentanil Fentanyl CII Fentanyl-25 80832-90-2 Fentanylum [INN-Latin] 9235-EP2305652A2 L001275 Abstral N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl) CAS-437-38-7 NCGC00168252-01 D09ISU PJMPHNIQZUBGLI-UHFFFAOYSA-N Duragesic Sentonil Durotep MT ZINC2522669 Fentanila [INN-Spanish] Fentanyl Transdermal System 1-Phenethyl-4-N-propionylanilinopiperidine Fentanyl-62 9235-EP2277875A2 GTPL1626 9235-EP2308872A1 Matrifen Actiq N-(1-Phenylethyl-4-piperidinyl)propionanilide pain therapy (transmucosal film), Auxilium Pharmaceuticals DB00813 Propanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]- Duragesic-12 Subsys Epitope ID:153507 Fentanyl (JAN/USAN/INN) Fentanyl 1.0 mg/ml in Methanol Fentanyl-100 5-22-08-00049 (Beilstein Handbook Reference) FENTANYL-HCl 9235-EP2298765A1 IONSYS 9235-EP2316829A1 N-(1-Phenethyl-4-piperidyl)propionanilide BIDD:GT0555 N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide # CTK8G2863 PecFent DSSTox_RID_76851 R4263 Duragesic-75 UF599785JZ Fentanil [DCIT] Fentanyl solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 1-(2-Phenylethyl)-4-(N-propananilido)piperidine Fentanyl-37 9235-EP2275420A1 Fentora 9235-EP2305654A1 Lazanda AC1L1FQ2 N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide CF0052 Oprea1_152073 D0E1WI Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)- Duragesic (TN) Sublimase effentora Fentanilo fentanyl (transmucosal film, pain), Auxilium Pharmaceuticals Fentanyl [INN:BAN] Fentanyl-75 9235-EP2280008A2 HSDB 3329 9235-EP2314585A1 N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide API0002693 N-Phenethyl-4-(N-propionylanilino)piperidine CHEMBL596 PDSP1_000860 DSSTox_CID_3049 Propionanilide, N-(1-phenethyl-4-piperidyl)- Duragesic-25 Subsys (TN) Fentanest Fentanyl buccal Fentanyl-12 Fentanylum 9235-EP2298768A1 JNS020QD 990-73-8 (citrate) N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide BRN 0494484 N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide D00320 Phentanyl DTXSID9023049 SCHEMBL8804 Durogesic UNII-UF599785JZ Fentanila Fentanyl solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material 1-Phenethyl-4-(N-phenylpropionamido)piperidine Fentanyl-50 9235-EP2277861A1 FT-0668508 9235-EP2308509A1 LS-124439 ACN-S001735 N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide CHEBI:119915 Oprea1_207148 Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)- (9CI) Duragesic-100 Sublimaze EINECS 207-113-6 [ Show all ]
Inchi Key	PJMPHNIQZUBGLI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
PubChem CID	3345
ChEMBL	CHEMBL596
IUPHAR	1626
BindingDB	50008984
DrugBank	DB00813
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	187.0 nM	PMID1847432, , Bioorg. Med. Chem. Lett., (1995) 5:11:1177	BindingDB,ChEMBL
IC50	187.4 nM	PMID1847432	ChEMBL
IC50	431.0 nM	PMID11585443	BindingDB,ChEMBL
Ki	152.7 nM	PMID9686407	BindingDB
Ki	158.489 nM	PMID9686407	IUPHAR
Ki	570.0 nM	PMID26712115	BindingDB,ChEMBL
Ki	679.0 nM	PMID9873603	BindingDB,ChEMBL
Ki	1000.0 nM	PMID8114680	BindingDB
Ki	1035.0 nM	PMID10669565	BindingDB,ChEMBL

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