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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 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

Ligand

Name	CHEMBL476838
Molecular formula	C23H29FN2O5
IUPAC name	[3-(2-fluoroethoxy)-2-methoxyphenyl]-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methanol
Molecular weight	432.492
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.9
Synonyms	(3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrophenylethyl)-piperidine-4-yl)-methanol BDBM50267509
Inchi Key	CFYAUZPZSBAQNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
PubChem CID	44582677
ChEMBL	CHEMBL476838
IUPHAR	N/A
BindingDB	50267509
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID19329329	BindingDB,ChEMBL

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