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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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-Carboxamidotryptamine
Molecular formula	C11H13N3O
IUPAC name	3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight	203.245
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	-0.6
Synonyms	[3H]-5-Carboxyamidotryptamine 3-(2-aminoethyl)-1H-indole-5-carboxamide 74885-09-9 BPBio1_001405 GTPL4 NCGC00015182-03 RTR-033194 AC1L1CAC CHEBI:48292 Lopac-C-117 NCGC00024598-01 UNII-91H76044O0 [3H]-5-Carboxamide tryptamine 5-Carboxyamidotryptamine BDBM21392 CTK5E0633 NCGC00015182-01 PDSP1_000774 [3H]-5-CT 3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide 91H76044O0 BRD-K92382976-103-01-8 KB-334392 NCGC00015182-04 SCHEMBL2677791 WKZLNEWVIAGNAW-UHFFFAOYSA-N 1H-Indole-5-carboxamide, 3-(2-aminoethyl)- 5-Carboxamide tryptamine AC1Q5DOI Lopac0_000352 NCGC00024598-02 [3h]-5-carboxamidotryptamine 3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE 5-CT Biomol-NT_000109 D02UWB NCGC00015182-02 PDSP2_000762 3-(2-Aminoethyl-1H-indole-5-carboxamide A22556 CCG-204447 L000077 NCGC00015182-05 Tocris-0458 ZINC2539813 1H-Indole-5-carboxamide,3-(2-aminoethyl)- AKOS027380025 CHEMBL18840 LS-82468 NCGC00024598-03 [ Show all ]
Inchi Key	WKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID	1809
ChEMBL	CHEMBL18840
IUPHAR	4
BindingDB	21392
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	96.0 -	PMID18817363	ChEMBL
IC50	0.2951 nM	Bioorg. Med. Chem. Lett., (1994) 4:10:1207	ChEMBL
IC50	0.3 nM	N/A	BindingDB
Kd	0.3981 nM	PMID19754201	ChEMBL
Ki	0.0501187 - 0.398107 nM	PMID1386736, PMID9760039, PMID9550290, PMID9205951	IUPHAR
Ki	0.2 nM	PMID2078271	BindingDB
Ki	>0.3 nM	PMID10753471	ChEMBL
Ki	0.34 nM	PMID7984267	PDSP,BindingDB
Ki	0.39 nM	Hoyer et al., PMID1986	PDSP
Ki	0.4 nM	Hoyer et al., PMID1986	PDSP
Ki	0.52 nM	PMID7984267	PDSP,BindingDB
Ki	0.53 nM	PMID8461029	PDSP
Ki	0.631 nM	PMID14613313	ChEMBL
Ki	0.85 nM	PMID7984267	PDSP
Ki	17.37 nM	PMID7984267	PDSP,BindingDB
Ki	17.5 nM	PMID8461029	PDSP,BindingDB
Max	96.0 %	PMID10514291, PMID10425105	ChEMBL
pD2	8.45 -	PMID10514291, PMID10425105, PMID18817363	ChEMBL
pKD	9.5 -	PMID8515429	ChEMBL

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