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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	5-Methoxy-N,N-dimethyltryptamine
Molecular formula	C13H18N2O
IUPAC name	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	218.3
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.5
Synonyms	5-MeO-DMT solution, 1.0 mg/mL in methanol, certified reference material PDSP1_000032 5-methoxyindole 3-(2-(N,N-Dimethylamino)ethyl) SCHEMBL132733 API0007109 X0MKX3GWU9 CCG-204809 D0C5XQ HMS1431C01 INDOLE, 3-(2-(N,N-DIMETHYLAMINO)ETHYL)-5-METHOXY- MCULE-1161800007 2-(5-methoxy-1H-indol-3-yl)-ethyl-dimethyl-amine N,N-Dimethyl-5-methoxytryptamine 3-(2-Dimethylaminoethyl)-5-methoxyindole NCGC00015654-06 NSC 88624 5-Methoxy-N,N-dimethyl-1H-indole-3-ethanamine PDSP2_000445 AB1007126 ST50308247 BRD-K34224286-001-07-1 [2-(5-METHOXY-1H-INDOL-3-YL)-ETHYL]-DIMETHYL-AMINE CHEMBL7257 DTXSID70144324 I05-0003 L000724 019D450 Methoxydimethyltryptamines 2-(5-Methoxy-1H-indol-3-yl)-N,N-dimethylethanamine NCGC00015654-01 3-[2-(N,N-Dimethylamino)ethyl]-5-methoxy-indole 5-22-12-00027 (Beilstein Handbook Reference) O-Methylbufotenine 5-Methoxy-N,N-Dimethyltryptamine(5-MeO-DMT) RT-004787 AN-48328 UNII-X0MKX3GWU9 Bufotenine, O-methyl- CTK3J0837 FT-0601228 Indole, 3-(2-(dimethylamino)ethyl)-5-methoxy- LS-82935 1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl- MLS000069438 3-(2-(N,N-Dimethyl)aminoethyl)-5-methoxyindole NCGC00015654-04 NCGC00023288-03 5-methoxy-3-N,N-dissopropylamino-ethylindole PDSP1_000447 5-OMe-DMT SDCCGMLS-0003129.P003 BC220661 ZINC57152 CHEBI:2086 DB-005455 HMS2235C20 Indole, 3-[2-(dimethylamino)ethyl]-5-methoxy- MeODMT 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine N,N-Dimethyl-5-methoxytryptamine, free base 3-(2-Dimethylaminoethyl)-5-methoxyindole; 3-[2-(Dimethylamino)ethyl]-5-methoxyindole; 5-MeO-DMT; 5-Methoxy-DMT; 5-OMe-DMT NSC-88624 5-Methoxy-N,N-dimethyl-1H-indole-3-ethylamine QC-3154 AC1L1CC9 STK368074 BRN 0164771 [2-(5-methoxy-1H-indol-3-yl)ethyl]dimethylamine cid_1832 EINECS 213-813-2 I382 Lopac-M-2381 1019-45-0 Methylbufotenine 2-(5-Methoxy-1H-indol-3-yl)-N,N-dimethylethanamine # NCGC00015654-02 3-[2-(N,N-Dimethylamino)ethyl]-5-methoxyindole 5-MeO-DMT Oprea1_596468 5-Methoxydimethyltryptamine SBB003367 ANW-59888 WLN: T56 BMJ D2N1&1 GO1 C08309 D-5380 GTPL145 Indole, 3-(2-(dimethylamino)ethyl)-5-methoxy- (8CI) Maybridge3_000045 1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl- (9CI) N,N-Dimethyl-5-methoxy tryptamine 3-(2-(N,N-Dimethylamino)ethyl)-5-methoxyindole NCGC00015654-05 NCGC00023288-04 5-Methoxy-DMT PDSP2_000032 AB0013660 SMR000059066 BDBM30707 ZSTKHSQDNIGFLM-UHFFFAOYSA-N HMS3370M04 Indole,N-dimethylamino)ethyl]-5-methoxy- Methoxybufotenin 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N,N-dimethylamine 3-[2-(Dimethylamino)ethyl]-5-methoxyindole NSC88624 RP05082 AKOS005203483 TL8000106 Bufotenine, 5-Methoxydimethyltryptamine [2-(5-methoxyindol-3-yl)ethyl]dimethylamine CT 4334 FT-0082567 IDI1_011432 Lopac0_000724 MFCD00005658 2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-amine NCGC00015654-03 [ Show all ]
Inchi Key	ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
PubChem CID	1832
ChEMBL	CHEMBL7257
IUPHAR	145
BindingDB	30707
DrugBank	DB14010
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
EC50	197.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	1063.0 nM	N/A	BindingDB
IC50	15.0 nM	PMID1447752	BindingDB,ChEMBL
Ki	28.0 nM	, J. Nat. Prod., (1997) 60:11:1196	BindingDB,ChEMBL

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