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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	5-hydroxytryptamine receptor 5A
Species	Homo sapiens (Human)
Gene	HTR5A
Synonym	5-HT5alpha 5-HT-5 MR22 Htr5 5-HT-5A 5-HT5A 5HT5- 5-HT5A receptor 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled serotonin receptor 5A [ Show all ]
Disease	N/A
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProt	P47898
Protein Data Bank	N/A
GPCR-HGmod model	P47898
3D structure model	This predicted structure model is from GPCR-EXP P47898.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3426
IUPHAR	10
DrugBank	BE0004688

Ligand

Name	MLS000720325
Molecular formula	C17H22N4S
IUPAC name	1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea
Molecular weight	314.451
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	HMS1625J12 SR-01000096490-1 AKOS022042235 CHEMBL1308389 SMR000236203 1-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]-3-(2-methylphenyl)thiourea HMS2577M17 AC1NOH79 BDBM83320 MolPort-007-632-993 1-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]-3-(2-methylphenyl)thiourea cid_5113115 SR-01000096490 1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea MCULE-5457103133 AKOS001503565 N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-N'-(2-methylphenyl)thiourea 1-[2-(dimethylamino)-2-(3-pyridyl)ethyl]-3-(o-tolyl)thiourea [ Show all ]
Inchi Key	CGRAGOYECIKOMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4S/c1-13-7-4-5-9-15(13)20-17(22)19-12-16(21(2)3)14-8-6-10-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)
PubChem CID	5113115
ChEMBL	CHEMBL1308389
IUPHAR	N/A
BindingDB	83320
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92470.0 nM	PubChem BioAssay data set	ChEMBL

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