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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	2-Methyl-5-hydroxytryptamine
Molecular formula	C11H14N2O
IUPAC name	3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
Molecular weight	190.246
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	1.4
Synonyms	PDSP1_001520 AC-30467 BRD-K64137799-003-01-7 GTPL218 NCGC00015628-02 NCGC00015628-05 Tocris-0558 1H-Indol-5-ol,3-(2-aminoethyl)-2-methyl- 3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol AJ-41965 CHEBI:31085 Lopac-M-109 NCGC00024652-03 2-Me-5HT Biomol-NT_000098 D00CRA MolPort-020-248-203 NCGC00015628-03 PDSP2_001504 2-Methylserotonin AC1L1BRL C13665 KB-231570 NCGC00024652-01 ZINC2572146 2-Me 5-HT 3-(2-Aminoethyl)-5-hydroxy-2-methylindole AKOS016362704 Lopac0_000813 NS-01775 2-Methyl-5-HT 78263-90-8 BPBio1_001361 DTXSID80228927 NCGC00015628-01 NCGC00015628-04 SCHEMBL399028 1H-Indol-5-ol, 3-(2-aminoethyl)-2-methyl- AC1Q2F2H CCG-204897 L000061 NCGC00024652-02 2-Me-5-HT 5-HT,2-Me BDBM50014406 CHEMBL266591 LS-83657 [ Show all ]
Inchi Key	WYWNEDARFVJQSG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
PubChem CID	1574
ChEMBL	CHEMBL266591
IUPHAR	218
BindingDB	50014406
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	<10000.0 nM	PMID2299641	BindingDB,ChEMBL
Ki	794.328 nM	PMID8380639	IUPHAR
Ki	812.83 nM	PMID7984267	PDSP,BindingDB
Ki	817.0 nM	PMID1513320	PDSP,BindingDB

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