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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	S(-)-Pindolol
Molecular formula	C14H20N2O2
IUPAC name	(2S)-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	CHEMBL117405 HMS3261E19 MolPort-003-959-160 P-152 SB17015 Tocris-1060 (2S)-1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol 2-Propanal, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-, (S)- AKOS024456358 BDBM50072755 espindolol KB-267891 NCGC00024973-02 Pindolol, (S)- SR-01000075488 UNII-E34B58KY5W (2S)-1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol 26328-11-0 CHEBI:48281 GTPL127 LP00349 NCGC00024973-05 S(?)-Pindolol SR-01000597475 (S)-pindolol AC1LELBQ CTK8F2100 HMS3267E06 mt-102 PDSP1_000743 SCHEMBL5220 Tox21_500349 (2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol 2-Propanal,1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-,(S)- API0005632 BRD-K95598440-001-03-6 EU-0100349 Lopac0_000349 NCGC00024973-03 SR-01000075488-1 ZINC56645 (S)-(-)-pindolol 328P110 HMS2231C09 MLS001056774 NCGC00261034-01 S-(-)-Pindolol SR-01000597475-1 (-)-pindolol ACM26328110 E34B58KY5W J-016382 NCGC00024973-01 PDSP2_000731 SMR000326991 UNII-BJ4HF6IU1D component JZQKKSLKJUAGIC-NSHDSACASA-N (2S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol 2-propanol,1-(1h-indol-4-yloxy)-3-[(1-methylethyl)amino]-,(2s)- B6575 CCG-204444 EU-0101027 Lopac0_001027 NCGC00024973-04 S(-)-Pindolol, solid SR-01000075488-2 (S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-NSHDSACASA-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/t11-/m0/s1
PubChem CID	688095
ChEMBL	CHEMBL117405
IUPHAR	127
BindingDB	50072755
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kb	27.1 nM	PMID9873746	ChEMBL
Ki	110.0 nM	PMID9873746	BindingDB,ChEMBL

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