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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	SMR000102159
Molecular formula	C19H23FN2O2
IUPAC name	1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
Molecular weight	330.403
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	Cambridge id 5262294 Oprea1_566622 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine cid_2173523 SR-01000201868 AC1M2L9M MLS000105278 REGID_for_CID_2173523 HMS2427D19 SR-01000201868-1 BDBM31037 MolPort-002-083-957 1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazine CHEMBL1606397 AB00077529-01 MCULE-7819278371 ZINC2811204 [ Show all ]
Inchi Key	FTXHIWXQEQZCKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3
PubChem CID	2173523
ChEMBL	CHEMBL1606397
IUPHAR	N/A
BindingDB	31037
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	50000.0 nM	N/A	BindingDB

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