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GPCR

Name	Beta-1 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb1
Synonym	adrenergic receptor beta1-adrenoceptor Beta-1 adrenoreceptor Beta-1 adrenoceptor beta-1 adrenergic receptor ADRB1R beta 1-AR B1AR Adrenergic receptor beta 1 Adrb-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProt	P18090
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	CHEMBL3252
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	naftopidil
Molecular formula	C24H28N2O3
IUPAC name	1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
Molecular weight	392.499
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	NCGC00015718-04 AB00489961-18 NCGC00024672-04 AKOS002279617 Prestwick3_000975 BDBM50773 SMR000466346 CAS-57149-07-2 CPD000466346 DTXSID5045176 HMS3655H21 1-(4-(2-methoxyphenyl)piperazin-1-yl)- MFCD11046013 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride Naftopidil (unspecified) 4-(2-Methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-1-pioerazineethanol NCGC00015718-08 AB00489961_21 O220 Avishot SAM001246658 BRD-A01787639-300-03-7 ST50794017 CHEBI:31891 D04DKH Flivas (TN) KT-611 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol;hydrochloride MolPort-003-849-303 1-[4-(2-methoxyphenyl)piperazinyl]-3-naphthyloxypropan-2-ol Naftopidil [INN] 4-(2-methoxyphenyl)-\|A-((1-naphthalenyloxy)methyl)-1-piperazineethanol 57149-07-2 NCGC00015718-12 AC1L1I4G Prestwick1_000975 BCP21786 SC-25905 BSPBio_001009 Tox21_110205 cid_4418 DSSTox_GSID_45176 HMS2089G07 (RS)-1-(4-(2-methoxyphenyl)-1-piperazinyl)-3-(1-naphthyloxy)-2-propanol LS-112431 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-ol;hydrochloride Naftopidil (Flivas) 27822-EP2314587A1 Naftopidilum [Latin] NCGC00015718-05 AB00489961-19 NSC-759293 AKOS016328058 REGID_for_CID_4418 BM-15275 SPBio_002920 CCG-100935 CS-2477 FE-0209 HY-B0391 1-(4-(2-methoxyphenyl)piperazin-1-yl)-3-(naphthalen-1-yloxy)propan-2-ol MLS000759459 1-[4-(2-methoxyphenyl)piperazino]-3-(1-naphthoxy)propan-2-ol;hydrochloride Naftopidil orally disintegrating tablets (JP17) 4-(2-methoxyphenyl)-alpha-[(1-naphthalenyloxy)methyl]-1-piperazineethanol 49N072 NCGC00015718-09 AB00514643 Pharmakon1600-01506024 BBL028454 SB19321 BRD-A01787639-300-04-5 STL372645 DB12092 FT-0630696 (+-)-1-(4-(2-Methoxyphenyl)piperazinyl)-3-(1-naphthyloxy)propan-2-ol KT-611;BM-15275;Avishot;Flivas 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-naphthyloxy)propan-2-ol N0832 27822-EP2270011A1 Naftopidil,(S) AB0016337 NCGC00024672-03 AC1Q77IN Prestwick2_000975 BCP9000976 SCHEMBL113215 C24H28N2O3 Tox21_110205_1 cid_6603044 DSSTox_RID_80725 HMS3393B09 1-(4-(2-methoxyphenyl)-1-piperazinyl)-3-(1-naphthyloxy)-2-propanol MCULE-8827578135 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol Naftopidil (JP17/INN) 3-(naphthalen-1-yloxy)propan-2-ol NC00185 NCGC00015718-06 AB00489961_20 NSC759293 AN-40014 s2126 BPBio1_001111 ST24048774 CCG-205022 D01674 Flivas KS-00000XJU 1-Pioerazineethanol, 4-(2-methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)- MLS001424117 1-[4-(2-Methoxyphenyl)piperazinyl]-3-(1-naphthyloxy)propan-2-ol Naftopidil tablets (JP17) 4-(2-Methoxyphenyl)-alpha-[(1-naphthalenyloxy)methyl]-1-piperazineethanol hydrochloride hydrate NCGC00015718-10 AB2000527 Prestwick0_000975 BC205447 SBI-0050915.P002 BRN 0629965 SW196570-4 CHEMBL142635 DSSTox_CID_25176 HMS2051B09 (+-)-4-(o-Methoxyphenyl)-alpha-((1-naphthyloxy)methyl)-1-piperazineethanol Lopac0_000941 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(naphthalen-1-yloxy)propan-2-ol 27822-EP2298767A1 Naftopidilum [ Show all ]
Inchi Key	HRRBJVNMSRJFHQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
PubChem CID	4418
ChEMBL	CHEMBL142635
IUPHAR	N/A
BindingDB	50773
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<1000.0 nM	PMID10743949	BindingDB,ChEMBL

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