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GLASS

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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	alprenolol
Molecular formula	C15H23NO2
IUPAC name	1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight	249.354
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	Alprenolol [INN:BAN] Spectrum_000168 Aptine (TN) BSPBio_002652 d-isopropylamino-1(allyl 2'phenoxy)-3 propanol DSSTox_RID_80690 HY-B1517 (RS)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol KBioSS_000648 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol NCGC00015099-05 NINDS_000015 ACMC-1C1BC SBI-0050140.P003 Alprenololum Yobir BDBM25764 CHEBI:51211 EINECS 237-140-9 KBio2_000648 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanol # LS-121647 122259-67-0 NCGC00015099-09 AB00053431 Prestwick0_000250 Alfeprol [Russian] SPBio_002259 Spectrum4_001216 Apllobal (TN) BRD-A00993607-003-15-4 CS-5734 DSSTox_CID_25127 H-56-28 (-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol KBio3_001872 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol NCGC00015099-03 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)- NCGC00089741-03 AC1L1CYO Prestwick3_000250 ALPRENOLOL,(+) Tox21_110084 Aptol (TN) CAS-13655-52-2 D01VAB DTXSID0045127 IDI1_000015 (RS)-Alprenolol;dl-Alprenolol L000961 1-isopropylamino-3-(2-allyl)phenoxypropan-2-ol NCGC00015099-06 Oprea1_368995 AKOS016376219 SCHEMBL34636 Spectrum2_001814 Alprenololum [INN-Latin] Yobir (TN) BPBio1_000044 DB00866 GTPL563 KBio2_003216 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol MCULE-8135107027 13655-52-2 NCGC00015099-11 AB00053431-13 Prestwick1_000250 allprenolol Spectrum5_001414 Aprenololo BSPBio_000040 CTK0H3293 DSSTox_GSID_45127 HMS2089G06 (-)-alprenolol hydrate d-tartrate KBioGR_001652 1-(o-Allylphenoxy)-3-isopropylamino)-2-propanol NCGC00015099-04 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]- NCGC00089741-04 AC1Q57NL Regletin (TN) Alprenolol (INN) ALPRENOLOL,(-) Tox21_110084_1 Atenenol CCG-204247 D07156 Duriles (TN) KBio1_000015 Lopac0_000152 1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol NCGC00015099-08 655A522 PAZJSJFMUHDSTF-UHFFFAOYSA-N Alfeprol SPBio_001827 Spectrum3_001066 API0006555 {2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine BRD-A00993607-003-05-5 CHEMBL266195 DivK1c_000015 Gubernal (TN) KBio2_005784 1-(isopropylamino)-3-(2-allylphenoxy)-2-propanol MolPort-003-717-938 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)- NCGC00089741-02 AB00053431_14 Prestwick2_000250 Alpheprol [ Show all ]
Inchi Key	PAZJSJFMUHDSTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PubChem CID	2119
ChEMBL	CHEMBL266195
IUPHAR	563
BindingDB	25764
DrugBank	DB00866
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

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