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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	523P869 KBio2_001589 AKOS015969756 LB-46 Blocklin L MLS002548891 BSPBio_000020 NCGC00015786-11 CCG-39223 D00513 (rs)-pindolol DL-LB 46 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 Visken NCGC00024925-04 Oprea1_770884 Pectobloc (TN) Pindolol [USAN:USP:INN:BAN:JAN] Prestwick1_000090 Pynastin (TN) SPECTRUM1500488 SR-01000000027-4 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 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 [2-hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine NCGC00024925-07 PDSP1_000771 Pinbetol (TN) Pindolol, United States Pharmacopeia (USP) Reference Standard Prestwick_397 SC-25688 Spectrum4_000479 ST50319990 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 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 Tox21_110221_1 NCGC00015786-20 NSC-757276 PDSP2_000760 Pindolol (JP17/USP/INN) Pindololum [INN-Latin] Prinodolol SPBio_001289 SR-01000000027 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 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 Visken (TN) NCGC00024925-05 P 0778 Pharmakon1600-01500488 Pindolol, >=98% (TLC), powder Prestwick2_000090 SAM002264631 Spectrum2_001285 SR-01000000027-5 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 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 NCGC00261640-01 PDSP1_000772 PINDOLOL,(-) Prindolol SCHEMBL5219 Spectrum5_001266 SW196641-3 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 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 Tox21_500955 NCGC00024925-03 NSC757276 Pectobloc Pindolol [USAN:INN:BAN:JAN] Prestwick0_000090 Pynastin SPBio_001959 SR-01000000027-2 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 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 Z3376 NCGC00024925-06 P-6820 Pinbetol Pindolol, European Pharmacopoeia (EP) Reference Standard Prestwick3_000090 SBI-0050929.P004 Spectrum3_000547 SR-01000000027-7 IDI1_000837 AB00052072_13 KBioSS_001589 Blockin L MCULE-7764948919 BRD-A97701745-001-05-3 NCGC00015786-08 Carvisken CPD000059120 (.+/-.)-Pindolol Decreten (TN) 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 NINDS_000837 PDSP2_000759 Pindolol (JP15/USP/INN) Pindololum Prindolol (TN) SMR000059120 Spectrum_001109 Tox21_110221 [ 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	9.76 %	PMID17804228	ChEMBL
EC50	27.0 nM	PMID10576696	BindingDB,ChEMBL
Efficacy	36.0 %	PMID10576696	ChEMBL
Intrinsic activity	13.3 %	PMID27865645	ChEMBL
Kd	63.1 nM	PMID19754201	ChEMBL
Ki	7.94328 nM	PMID9550290	IUPHAR
Ki	15.0 nM	PMID2078271	BindingDB
Ki	17.78 nM	PMID7984267	PDSP,BindingDB
Ki	22.0 nM	PMID17804228	BindingDB
Ki	22.4 nM	PMID17804228	ChEMBL
Ki	22.4 nM	PMID17804228	PDSP
Ki	24.0 nM	PMID10576696	BindingDB,ChEMBL
Ki	28.0 nM	PMID8382063	PDSP,BindingDB
Ki	28.18 nM	PMID7984267	PDSP,BindingDB
Ki	33.11 nM	PMID7984267	PDSP,BindingDB
Ki	33.3 nM	PMID8461029	PDSP,BindingDB
Ki	37.15 nM	PMID7984267	PDSP,BindingDB
Ki	61.1 nM	PMID8461029	PDSP,BindingDB
Ki	61.65 nM	PMID7984267	PDSP,BindingDB
Ki	81.0 nM	PMID17804228	BindingDB
Ki	81.1 nM	PMID17804228	ChEMBL
Ki	81.1 nM	PMID17804228	PDSP
Ki	110.0 nM	PMID16220969	BindingDB,ChEMBL

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