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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	WAY-100635
Molecular formula	C25H34N4O2
IUPAC name	N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
Molecular weight	422.573
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	CAS_146714-97-8 D07BCO KB-81480 N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide-Tritiated PDSP1_001716 Way 100635 [3H]WAY100635 EX-A1053 Lopac0_001229 NCGC00016092-02 SB19513 162760-96-5 ABP000343 AKOS027313833 cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl- GTPL80 N-[2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-2-PYRIDINYL-CYCLOHEXANECARBOXAMIDE TRIHYDROCHLORIDE NCGC00162372-01 W-5217 X7593 CCG-205303 D08WYI L000012 N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide PDSP2_001699 WAY 100635;WAY100635 CHEMBL31354 FT-0728251 LS-56585 NCGC00016092-03 SCHEMBL84178 WAY-100635 maleate salt/ 162760-96-5, WAY100635, WAY 100635 AC1L1KWK BDBM86708 Cyclohexanecarboxamide, N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinyl-, hydrochloride HY-10349 N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide NSC_104911 WAY 100,635 ZINC52541473 71IH826FEG CHEBI:125619 DTXSID20167467 Lopac-W-108 NCGC00016092-01 Rec 0/0277 WAY-100,635 146714-97-8 A3933 CS-0418 GTPL3251 n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-cyclohexanecarboxamide NCGC00016092-13 UNII-71IH826FEG WAY100635 2799AH AC1Q5IB0 [ Show all ]
Inchi Key	SBPRIAGPYFYCRT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PubChem CID	5684
ChEMBL	CHEMBL31354
IUPHAR	80, 3251
BindingDB	86708
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	<50.0 %	PMID21520940	ChEMBL
Ki	<10000.0 nM	PMID16915381	BindingDB

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