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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	MLS000064957
Molecular formula	C17H16N2O3S
IUPAC name	3-(2-hydroxyphenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Molecular weight	328.386
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[2-(methylthio)phenyl]isoxazolidine-5-carboxamide AC1NX0CY CHEMBL1562802 ST076061 (3E)-N-[2-(methylthio)phenyl]-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-5-isoxazolidinecarboxamide AKOS000559842 MCULE-2495819410 3-(2-hydroxyphenyl)-N-[2-(methylthio)phenyl]-4,5-dihydro-5-isoxazolecarboxamide BDBM31346 N-(2-methylsulfanylphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide (3E)-N-(2-methylsulfanylphenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide AC1NY9JS cid_5771718 STK341228 (3Z)-N-(2-methylsulfanylphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide AKOS022070105 SMR000078276 (3E)-N-(2-methylsulfanylphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidine-5-carboxamide AC1OBKJ4 HMS2472J13 [3-(2-hydroxyphenyl)(4,5-dihydroisoxazol-5-yl)]-N-(2-methylthiophenyl)carboxam ide 3-(2-hydroxyphenyl)-N-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide BAS 09529482 MolPort-002-014-988 [ Show all ]
Inchi Key	FIYZHRFIVIPMNK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N2O3S/c1-23-16-9-5-3-7-12(16)18-17(21)15-10-13(19-22-15)11-6-2-4-8-14(11)20/h2-9,15,20H,10H2,1H3,(H,18,21)
PubChem CID	2962265
ChEMBL	CHEMBL1562802
IUPHAR	N/A
BindingDB	31346
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<50000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	50000.0 nM	N/A	BindingDB

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