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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	BW-723C86
Molecular formula	C16H18N2OS
IUPAC name	1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Molecular weight	286.393
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM82472 CCG-204312 MLS-0317858 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine BRD-A17428743-001-01-1 CHEMBL1255834 NCGC00015135-05 AC1N7TG2 L000152 NSC_5311036 Biomol-NT_000128 CHEBI:91556 NCGC00015135-03 BRD-A17428743-003-03-3 D00ZCU NCGC00024972-02 alpha-methyl-5-(2-thienylmethoxy)-1H-indole-3-ethanamine CAS_5311036 Lopac0_000217 SCHEMBL3298862 BPBio1_000023 NCGC00015135-04 BW-72386 GTPL161 NCGC00024972-03 [ Show all ]
Inchi Key	ALFGDCNSEBJYSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PubChem CID	4284720
ChEMBL	CHEMBL1255834
IUPHAR	161
BindingDB	82472
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	3162.28 nM	PMID8730737, PMID8788493, PMID9144661	BindingDB

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