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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	propranolol
Molecular formula	C16H21NO2
IUPAC name	1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	AKOS016050338 R,S-Propranolol Hydrochloride KBio2_005083 Avlocardyl SCHEMBL3955 KBioSS_002523 Bedranol Spectrum3_001071 Migrastat Bio1_000367 W-109550 C07407 NCGC00024690-02 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Oprea1_304193 DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Prestwick0_000952 EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- PROPANOLOL(-) hemangiol AB00053537-10 PROPRANOLOL, d Inderex propranololo Inderol AN-45556 Reducor KBio3_001902 AY 64043 SPBio_001658 L000679 Beta-Tablinen Spectrum5_000751 NCGC00015798-05 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol NSC 91523 (Salt/Mix) CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol PDSP1_001608 Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Prestwick3_000952 Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) AB0108847 Propranololum [INN-Latin] KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N SBI-0050871.P003 KBioGR_001684 BBL023437 Spectrum2_001699 LS-184129 Betadren Sumial BSPBio_000944 (A+/-)-Propranolol hydrochloride NCGC00015798-08 CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Obsidan (Salt/Mix) 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol PDSP2_001592 Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- Propanolol FT-0700657 Propranolol Hcl Intensol Inderal (Salt/Mix) AC1Q1QC0 ALBB-023324 Racemic propranolol KBio2_007651 Avlocardyl (Salt/Mix) Servanolol Kemi S Berkolol Spectrum4_000974 MolPort-001-794-623 Bio1_000856 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine C16H21NO2 .beta.-Propranolol NCGC00024690-03 cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol PDSP1_000767 dl-propranolol 13013-17-7 Prestwick1_000952 EN300-40731 Propanolol,(+/-) HMS2090L21 AB00053537_11 PROPRANOLOL,(+) INDERIDE-40/25 Propranololo [DCIT] Intermigran Anaprilin Reducor line KBio3_002993 AY-20694 SPBio_003093 Lopac0_000896 Beta-Timelets ST024757 NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol NSC91523 D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol PDSP2_000755 Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- Propanalol F0001-3681 525-66-6 Propranolol (INN) IDI1_000023 AC1L1JA4 AKOS000588816 Proprasylyt KBio2_002515 ARONIS27011 SCHEMBL12264958 KBioGR_002515 BDBM25761 Spectrum3_000883 MCULE-7804628650 Betalong T7896 BSPBio_002682 (S)-(-)-PROPRANOLOL NCGC00015798-09 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol Obzidan DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Pranolol EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- Propanolol [INN-Spanish] GTPL564 AB00053537 Propranolol [INN:BAN] Inderal hydrochloride AN-18866 racemic-Propranolol KBio3_001766 AY 20694 SPBio_001361 KS-00002WT3 beta-Propranolol Spectrum4_001222 NCGC00015798-04 Bio1_001345 (+-)-Propranolol Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol NINDS_000023 Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol PDSP1_001607 DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- Prestwick2_000952 etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranalol HMS3428G03 AB00053537_12 PROPRANOLOL,(-) INDERIDE-80/25 Propranololum KB-123971 Anapriline Sawatal KBioGR_001347 b-Propranolol Spectrum2_001301 LS-122410 Betachron STK735510 BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol NCGC00015798-07 CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane Obsidan D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol PDSP2_001591 DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) Propanix FE-0204 525P666 Propranolol (TN) Inderal AC1Q1QBV [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
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
EC50	<5011.87 nM	PMID26565745	ChEMBL
IC50	<5011.87 nM	PMID26565745	ChEMBL
Ki	<10000.0 nM	PMID7984267, PMID9435911	PDSP,BindingDB,ChEMBL
Ki	56.23 nM	PMID7984267	PDSP,BindingDB
Ki	630.95 nM	PMID7984267	PDSP,BindingDB
Ki	640.0 nM	PMID1315531	PDSP,BindingDB
Ki	2691.53 nM	PMID7984267	PDSP,BindingDB

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