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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	PAPP
Molecular formula	C19H22F3N3
IUPAC name	4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Molecular weight	349.401
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BPBio1_000375 D0T4PS Lopac-S-009 LY-165,163; p-Aminophenethyl-m-trifluoromethylphenyl piperazine NCGC00015907-05 p-NH2-PE-Tfmpp Tox21_501132 4-[2-[4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl]benzeneamine AC1L3TO7 CCG-205206 GTPL18 LS-173712 MLS000859974 NCGC00094399-03 S-009 Benzenamine, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- CHEMBL1256693 HMS3369D03 LY-165,163 NCGC00015907-03 NSC628235 SR-01000075576 1814-64-8 4-[2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline BRD-K14282469-001-01-5 DTXSID30171136 Lopac0_001132 LY-165163 NCGC00094399-01 UNII-8HAJ699EWG AC1Q4K3D CHEBI:92250 HMS2232I03 LY 165,163 NCGC00015907-01 NCGC00261817-01 SCHEMBL3976547 1-(2-(4-Aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine Biomol-NT_000160 CTK8D5097 J-011585 LY-165,163, solid NCGC00015907-04 p-Aminophenethyl-m-trifluoromethylphenyl piperazine SR-01000075576-1 4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)aniline 8HAJ699EWG C19H22F3N3 EU-0101132 LP01132 MFCD00055098 NCGC00094399-02 PAPP (LY-165,163) SELECTIVE 5-HT1A SERO ZINC1619831 AKOS030547154 HMS3263D05 LY 165163 NCGC00015907-02 NCI60_009079 SMR000326833 [ Show all ]
Inchi Key	GAAKALASJNGQKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
PubChem CID	121930
ChEMBL	CHEMBL1256693
IUPHAR	18
BindingDB	N/A
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	1.25893 nM	PMID9760039	IUPHAR

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