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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	4365 CT
Molecular formula	C14H20N2O
IUPAC name	2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	232.327
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	5-Methoxy-2,N,N-trimethyltryptamine SCHEMBL5766124 67292-68-6 INDOLE, 3-(2-(DIMETHYLAMINO)ETHYL)-5-METHOXY-2-METHYL- ZINC1996368 4-22-00-05694 (Beilstein Handbook Reference) BDBM50085972 PDSP1_001416 [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-ammonium 5-methoxy-2-methyl-n,n-dimethyltryptamine CHEMBL7143 UNII-XZ2CCP18I2 2,N,N-Trimethyl-5-methoxy-1H-indole-3-ethanamine AC1L2MB5 LS-82938 [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine BRN 0179917 PDSP2_001400 DTXSID10217627 XZ2CCP18I2 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine AC1Q56LA Methyl-2-methoxy-5-N-dimethyltryptamine [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine (C2H2O) [ Show all ]
Inchi Key	ACEHBQPPDDGCGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
PubChem CID	49756
ChEMBL	CHEMBL7143
IUPHAR	N/A
BindingDB	50085972
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	200.0 nM	PMID10715164	BindingDB,ChEMBL

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