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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Mu-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	98
Amino acid sequence	YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProt	P97266
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4354
IUPHAR	N/A
DrugBank	N/A

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	Duragesic (TN) Sublimase effentora Fentanilo 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)- Propionanilide, N-(1-phenethyl-4-piperidyl)- Duragesic-25 Subsys (TN) Fentanest 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 SCHEMBL8804 Durogesic UNII-UF599785JZ Fentanila 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 Duragesic-100 Sublimaze EINECS 207-113-6 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) R 4263 Duragesic-50 Tox21_112611 Fentanil 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 Duragesic Sentonil Durotep MT ZINC2522669 Fentanila [INN-Spanish] 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-12 Subsys Epitope ID:153507 Fentanyl (JAN/USAN/INN) 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]- R4263 Duragesic-75 UF599785JZ Fentanil [DCIT] 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 [ 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
IC50	1.9 nM	PMID21925887	BindingDB
IC50	3.1 nM	, PMID1847432, Bioorg. Med. Chem. Lett., (1995) 5:11:1177	BindingDB,ChEMBL
IC50	3.4 nM	PMID26323872, PMID23623418	BindingDB,ChEMBL
IC50	3.45 nM	PMID20218625	BindingDB,ChEMBL
IC50	9.45 nM	PMID26299827	ChEMBL
IC50	9.5 nM	PMID26299827	BindingDB
IC50	3400.0 nM	PMID26712115	BindingDB,ChEMBL
Ki	1.0 nM	PMID9686407	BindingDB
Ki	8.45 nM	PMID9873603	ChEMBL
Ki	8.5 nM	PMID9873603	BindingDB

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