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GPCR

Name	Beta-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

Ligand

Name	pindolol
Molecular formula	C14H20N2O2
IUPAC name	1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol EINECS 236-867-9 1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol HMS1568A22 2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)- HMS3369E14 523P869 KBio2_001589 AKOS015969756 LB-46 Blocklin L MLS002548891 BSPBio_000020 NCGC00015786-11 CCG-39223 D00513 (rs)-pindolol DL-LB 46 Pinbetol Pindolol, European Pharmacopoeia (EP) Reference Standard Prestwick3_000090 SBI-0050929.P004 Spectrum3_000547 SR-01000000027-7 Z3376 NCGC00024925-06 P-6820 DSSTox_GSID_23476 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol FT-0630406 1-[1H-INDOL-4-YLOXY]-3-[ISOPROPYLAMINO]-2-PROPANOL HMS2091P20 3-indol-4-yloxy-1-[(methylethyl)amino]propan-2-ol HSDB 6539 AB00052072-11 KBio3_001693 Betapindol LP00955 Blocklin-L (TN) NCGC00015786-06 Calvisken NCGC00015786-16 (+-)-Pindolol DB00960 1-((1H-indol-4-yl)oxy)-3-(isopropylamino)propan-2-ol Pindolol (JP15/USP/INN) Pindololum Prindolol (TN) SMR000059120 Spectrum_001109 Tox21_110221 NINDS_000837 PDSP2_000759 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol Durapindol 1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol Glauco-Viskin 2-Propanol, 1-(1H-indol-4-yloxy)-3-(1-methylethyl)amino- HMS3262P12 5-21-03-00017 (Beilstein Handbook Reference) JZQKKSLKJUAGIC-UHFFFAOYSA-N AC1L1J1N L000006 Blockin L (TN) MFCD00010530 BRD-A97701745-001-09-5 NCGC00015786-09 Carvisken (TN) CS-4473 (1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol DivK1c_000837 Pectobloc (TN) Pindolol [USAN:USP:INN:BAN:JAN] Prestwick1_000090 Pynastin (TN) SPECTRUM1500488 SR-01000000027-4 Visken NCGC00024925-04 Oprea1_770884 DL-Pindolol 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-propan-2-ol EINECS 244-623-8 1-(4-Indolyloxy)-3-(isopropylamino)-2-propanol HMS1920H16 2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)-, (+-)- HMS3712A22 KBio2_004157 AN-18448 LB46 Blocklin L (TN) MolPort-001-792-503 BSPBio_002193 NCGC00015786-13 CCRIS 9215 (+-)-4-(2-hydroxy-3-(isopropylamino)propoxy)indole D0F2PO Pinbetol (TN) Pindolol, United States Pharmacopeia (USP) Reference Standard Prestwick_397 SC-25688 Spectrum4_000479 ST50319990 [2-hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine NCGC00024925-07 PDSP1_000771 DSSTox_RID_77043 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol((-)-Pindolol) Glauco-visken 13523-86-9 HMS2095A22 4-(2-Hydroxy-3-isopropylaminopropoxy)-indole HY-B0982 AB00052072_12 KBioGR_000958 Betapindol (TN) LS-122385 BPBio1_000022 NCGC00015786-07 Calvisken (TN) CHEMBL500 (+/-)-Pindolol-d7(iso-propyl-d7) Decreten 1-(1h-indol-4-yloxy)-3-((1-methylethyl)amino)-2-propano PDSP2_000760 Pindolol (JP17/USP/INN) Pindololum [INN-Latin] Prinodolol SPBio_001289 SR-01000000027 Tox21_110221_1 NCGC00015786-20 NSC-757276 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol # Durapindol (TN) 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol GTPL91 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- HMS3267K17 KBio1_000837 AC1Q1QC1 LB 46 Blocklin MLS000069496 BRN 1536506 NCGC00015786-10 CAS-13523-86-9 CTK8G2432 (R,S)-PINDOLOL DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole Pharmakon1600-01500488 Pindolol, >=98% (TLC), powder Prestwick2_000090 SAM002264631 Spectrum2_001285 SR-01000000027-5 Visken (TN) NCGC00024925-05 P 0778 DSSTox_CID_3476 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol EU-0100955 1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol HMS2089I21 21870-06-4 HMS502J19 AB00052072 KBio2_006725 BDBM50019443 Lopac0_000955 Blocklin-L NC00467 C07445 NCGC00015786-14 CHEBI:8214 (+-)-lb46 1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol PINDOLOL,(-) Prindolol SCHEMBL5219 Spectrum5_001266 SW196641-3 NCGC00261640-01 PDSP1_000772 1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol DTXSID8023476 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol(pindolol) Glauco-Visken (TN) 2-Propanol, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)- HMS3259I07 4-(3-(Isopropylamino)-2-hydroxypropoxy)indole IDI1_000837 AB00052072_13 KBioSS_001589 Blockin L MCULE-7764948919 BRD-A97701745-001-05-3 NCGC00015786-08 Carvisken CPD000059120 (.+/-.)-Pindolol Decreten (TN) Pectobloc Pindolol [USAN:INN:BAN:JAN] Prestwick0_000090 Pynastin SPBio_001959 SR-01000000027-2 Tox21_500955 NCGC00024925-03 NSC757276 [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID	4828
ChEMBL	CHEMBL500
IUPHAR	91
BindingDB	50019443
DrugBank	DB00960
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
Activity	64.3 %	PMID21870877	ChEMBL
ED50	0.0061 mg.kg-1	PMID2872332	ChEMBL
IC50	0.921 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Kd	<10000.0 nM	PMID21870877	BindingDB
Kd	2.399 nM	PMID21870877	ChEMBL
Kd	2.4 nM	PMID21870877	BindingDB
Kd	2.6 nM	PMID21870877	BindingDB
Kd	2.63 nM	PMID21870877	ChEMBL
Kd	>10000.0 nM	PMID21870877	ChEMBL
Ki	0.52 nM	PMID17804228	BindingDB,ChEMBL
Ki	0.52 nM	PMID17804228	PDSP,IUPHAR
Ki	0.532 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.94 nM	PMID7915318	PDSP,BindingDB
Ki	2.6 nM	PMID14730417	PDSP,BindingDB

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