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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 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

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	A22556 CCG-204447 L000077 NCGC00015182-05 Tocris-0458 3-(2-Aminoethyl-1H-indole-5-carboxamide AKOS027380025 CHEMBL18840 LS-82468 NCGC00024598-03 ZINC2539813 1H-Indole-5-carboxamide,3-(2-aminoethyl)- 74885-09-9 BPBio1_001405 GTPL4 NCGC00015182-03 RTR-033194 [3H]-5-Carboxyamidotryptamine 3-(2-aminoethyl)-1H-indole-5-carboxamide AC1L1CAC CHEBI:48292 Lopac-C-117 NCGC00024598-01 UNII-91H76044O0 BDBM21392 CTK5E0633 NCGC00015182-01 PDSP1_000774 [3H]-5-Carboxamide tryptamine 5-Carboxyamidotryptamine 91H76044O0 BRD-K92382976-103-01-8 KB-334392 NCGC00015182-04 SCHEMBL2677791 [3H]-5-CT 3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide AC1Q5DOI Lopac0_000352 NCGC00024598-02 WKZLNEWVIAGNAW-UHFFFAOYSA-N 1H-Indole-5-carboxamide, 3-(2-aminoethyl)- 5-Carboxamide tryptamine 5-CT Biomol-NT_000109 D02UWB NCGC00015182-02 PDSP2_000762 [3h]-5-carboxamidotryptamine 3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE [ 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
IC50	3.388 nM	Bioorg. Med. Chem. Lett., (1994) 4:10:1207	ChEMBL
IC50	3.4 nM	N/A	BindingDB
Intrinsic activity	0.84 -	PMID7658443	ChEMBL
Ki	0.32 nM	PMID11132243	PDSP,BindingDB
Ki	0.630957 - 2.51189 nM	PMID1565658, PMID8967979, PMID1652050	IUPHAR
Ki	0.7 nM	PMID7984267	PDSP,BindingDB
Ki	0.93 nM	Waeber et al., PMID1988	PDSP
Ki	0.97 nM	PMID7984267	PDSP,BindingDB
Ki	0.99 nM	PMID1652050	PDSP
Ki	1.6 nM	PMID1565658	PDSP,BindingDB
Ki	2.4 nM	PMID9303569	PDSP,BindingDB
pKD	8.8 -	PMID8515429	ChEMBL
p[A50]	8.1 -	PMID7658443	ChEMBL

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