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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	Propranolol, L-
Molecular formula	C16H21NO2
IUPAC name	(2S)-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	Tocris-0834 (-)-propranolol 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2S)- AC1L3M9V BPBio1_001236 HMS2089B07 KBioSS_000380 NCGC00024813-05 Prestwick2_001081 ZINC56556 (S)-propranolol BCBcMAP01_000208 BRD-K13994703-003-10-9 EINECS 224-095-5 KBio2_002948 LS-122524 NCGC00024813-08 SCHEMBL3956 1-propranolol AB00514695-07 Bio2_000840 BSPBio_001122 HMS1792D21 KBio3_000740 NCGC00024813-03 Prestwick0_001081 UNII-74MLR03FLC (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol 4199-09-1 AJ-09309 BRD-K13994703-001-02-0 CHEMBL452861 IDI1_002115 Levopropranolol NCGC00024813-06 Prestwick3_001075 [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol) 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol 74MLR03FLC BDBM50246936 BSPBio_001040 GTPL63 KBio2_005516 NCGC00024813-01 PDSP1_000768 S-(-)-propanolol SPBio_003021 (-)-(S)-Propranolol 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)- AB00514695_08 BPBio1_001200 CCG-205103 HMS1990D21 KBioGR_000380 NCGC00024813-04 Prestwick1_001081 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-AWEZNQCLSA-N (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol AQHHHDLHHXJYJD-AWEZNQCLSA-N BRD-K13994703-003-04-2 CTK4I5506 KBio2_000380 Lopac0_001023 NCGC00024813-07 Prestwick3_001081 SBI-0050996.P003 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol AB00514695 Bio2_000360 BSPBio_001090 HMS1362D21 KBio3_000739 NCGC00024813-02 PDSP2_000756 [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-AWEZNQCLSA-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/t14-/m0/s1
PubChem CID	91536
ChEMBL	CHEMBL452861
IUPHAR	63
BindingDB	50246936
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	31.6228 nM	PMID9205951	IUPHAR

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