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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	MLS000731975
Molecular formula	C24H31N3O2
IUPAC name	ethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate
Molecular weight	393.531
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.1
Synonyms	SMR000319141 ethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate CHEMBL1720300 ethyl 4-(cyclopropylmethyl)-1-{[2-(2-methylphenyl)pyrimidin-5-yl]methyl}piperidine-4-carboxylate 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester MolPort-005-121-012 BDBM83357 cid_16191646 HMS2683J23 4-(cyclopropylmethyl)-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]isonipecotic acid ethyl ester [ Show all ]
Inchi Key	AVQYMSDSZMZIHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N3O2/c1-3-29-23(28)24(14-19-8-9-19)10-12-27(13-11-24)17-20-15-25-22(26-16-20)21-7-5-4-6-18(21)2/h4-7,15-16,19H,3,8-14,17H2,1-2H3
PubChem CID	16191646
ChEMBL	CHEMBL1720300
IUPHAR	N/A
BindingDB	83357
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	<92489.0 nM	PubChem BioAssay data set	ChEMBL

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