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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	N,N-DIMETHYLTRYPTAMINE
Molecular formula	C12H16N2
IUPAC name	2-(1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	188.274
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.5
Synonyms	DEA No. 7435 FT-0667348 L001288 N,N-Dimethyltryptamine (DMT) solution, 1.0 mg/mL in methanol, certified reference material STK370594 (2-Indol-3-ylethyl)dimethylamine 1H-Indole-3-ethanamine,N,N-dimethyl- 3-(2-(dimethylamino)ethyl)-Indole 68677-25-8 CHEBI:28969 DMT (psychogenic) InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H MFCD00055989 N-(2-(1H-indol-3-yl)ethyl)-N,N-dimethylamine (ACD/Name 4.0) WUB601BHAA 061D507 2-(1H-Indol-3-yl)-N,N-dimethylethanamine 3-(dimethylaminoethyl)-indole AN-41827 CTK5B3344 EINECS 200-508-4 Indole, 3-[2-(dimethylamino)ethyl]- N,N-Dimethyl-1H-indole-3-ethylamine NSC63795 [2-(1H-indol-3-yl)ethyl]dimethylamine 1H-Indole-3-ethanamine, N,N-dimethyl- (9CI) 2-(1H-indol-3-yl)-N,N-dimethylethylamine BRN 0138259 DIMETHYLTRYPTAMINE GTPL141 LS-82930 N,N-Dimethyltryptamine, >=97% (HPLC) UNII-WUB601BHAA (psychogenic) 2-(1H-indol-3-yl)-ethyl-dimethyl-amine 3-(2-DIMETHYLAMINOETHYL) INDOLE AC1L1LS3 DMULVCHRPCFFGV-UHFFFAOYSA-N Indolalkylamine der N,N-dimethyl-1H-Indole-3-ethanamine NSC 63795 ZINC897457 2-(1H-Indol-3-yl)-N,N-dimethylethanamine # 3-[2- (dimethylamino)ethyl]-Indole AS-47089 D-5500 DB01488 FCH838678 KB-296215 SCHEMBL335710 1H-INDOLE-3-ETHANAMINE,N,N-DIMETHYL 2-(3-Indolyl)ethyldimethylamine 61-50-7 C08302 Dimethyltryptamine(DMT) HSDB 8017 MB00483 N,N-Dimethyltryptamine, free base WLN: T56 BMJ D2N1&1 2-(1H-INDOL-3-YL)-N,N-DIMETHYL-ETHANAMINE 3-(2-Dimethylaminoethyl)indole AKOS005446117 CHEMBL12420 DTXSID60110053 Indole, 3-(2-(dimethylamino)ethyl)- N,N-dimethyl-1H-Indole-3-ethanamine (9CI) NSC-63795 [2-(1H-INDOL-3-YL)-ETHYL]-DIMETHYL-AMINE 1H-Indole-3-ethanamine, N,N-dimethyl- 2-(1H-indol-3-yl)-N,N-dimethylethanamine (ACD/Name 4.0) 3-[2-(dimethylamino)ethyl]indole BDBM50026868 D0K1QS [ Show all ]
Inchi Key	DMULVCHRPCFFGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
PubChem CID	6089
ChEMBL	CHEMBL12420
IUPHAR	141
BindingDB	50026868
DrugBank	DB01488
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	119.51 nM	Pierce & Peroutka, PMID1989	PDSP
Ki	410.0 nM	, J. Nat. Prod., (1997) 60:11:1196	BindingDB,ChEMBL

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