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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	TCMDC-124447
Molecular formula	C15H18N2
IUPAC name	3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Molecular weight	226.323
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.6
Synonyms	IDI1_028773 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole BRD-K76700848-001-01-3 MolPort-009-263-241 AC1L1BJS ChemDiv3_011215 HMS1504N17 SR-01000106154 AUPFODUFUNPAOB-UHFFFAOYSA-N MCULE-8522773337 ZINC1856132 SCHEMBL11321052 AC1Q1IP7 cid_51703 HMS2174J04 SR-01000106154-1 3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole BDBM31021 MLS000093713 72808-70-9 CHEMBL587229 SMR000029331 AKOS004911391 GNF-Pf-2468 [ Show all ]
Inchi Key	AUPFODUFUNPAOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
PubChem CID	51703
ChEMBL	CHEMBL587229
IUPHAR	N/A
BindingDB	31021
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	23.87 nM	N/A	BindingDB

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