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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	MLS000552833
Molecular formula	C34H38N4O5
IUPAC name	2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
Molecular weight	582.701
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	5.0
Synonyms	2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide Oprea1_789009 HMS2425D04 ASN 04882375 MLS002536592 2-[(4-acetamidophenyl)-[2-(1H-indol-3-yl)ethanoyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide CHEMBL1463367 SMR000172871 AC1ML85S MCULE-4709518581 2-(4-acetamido-N-[2-(1H-indol-3-yl)-1-oxoethyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide BDBM83313 Oprea1_605149 2-[(4-Acetylamino-phenyl)-(2-1H-indol-3-yl-acetyl)-amino]-N-cyclohexyl-2-(3,4-dimethoxy-phenyl)-acetamide cid_3190761 AKOS000715444 [ Show all ]
Inchi Key	CLVMGLHYNADTTO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41)
PubChem CID	3190761
ChEMBL	CHEMBL1463367
IUPHAR	N/A
BindingDB	83313
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

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

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