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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 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	MLS000587743
Molecular formula	C17H13BrF3N3O5
IUPAC name	N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Molecular weight	476.206
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.8
Synonyms	N''-[(E)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide SMR000211798 AKOS001622560 CHEMBL2001739 N'-[(1E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide MolPort-000-730-487 N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide AC1NV3I5 N''-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide ST51059280 BDBM83326 cid_5521786 N'-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (2-Nitro-4-trifluoromethyl-phenyl)-acetic acid [1-(5-bromo-2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide N''-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanehydrazide N-[(1E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-azavinyl]-2-[2-nitro-4-(triflu oromethyl)phenyl]acetamide AC1O9M6V N''-[(E)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide STK378400 N'-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide [ Show all ]
Inchi Key	BKBZUYLYUUBWOV-GZIVZEMBSA-N
Inchi ID	InChI=1S/C17H13BrF3N3O5/c1-29-14-7-12(18)4-10(16(14)26)8-22-23-15(25)5-9-2-3-11(17(19,20)21)6-13(9)24(27)28/h2-4,6-8,26H,5H2,1H3,(H,23,25)/b22-8+
PubChem CID	135521517
ChEMBL	CHEMBL2001739
IUPHAR	N/A
BindingDB	83326
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	<92443.0 nM	PubChem BioAssay data set	ChEMBL

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