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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	MLS000044646
Molecular formula	C10H7F3N2O3S
IUPAC name	4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
Molecular weight	292.232
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	1.5
Synonyms	4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine STK341742 4-(furan-2-yl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine EU-0089250 BDBM31064 REGID_for_CID_3237865 4-(2-furyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine CHEMBL1444859 4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine MLS-0050257.0001 CCG-27093 SMR000022590 4-(2-furyl)-2-mesyl-6-(trifluoromethyl)pyrimidine cid_3237865 AC1MMFBL [ Show all ]
Inchi Key	DYLWYHLPRCPPQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
PubChem CID	3237865
ChEMBL	CHEMBL1444859
IUPHAR	N/A
BindingDB	31064
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	2257.0 nM	N/A	BindingDB

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