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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	Lysergole
Molecular formula	C16H18N2O
IUPAC name	(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol
Molecular weight	254.333
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	9,10-Didehydro-6-methyl-8-hydroxymethylergoline Ergoline,10-didehydro-8-hydroxymethyl-6-methyl- MCULE-6560563332 AKOS030254986 Ergoline-8.beta.-methanol, 9,10-didehydro-6-methyl- Oprea1_812943 (6-Methyl-9,10-didehydroergolin-8-yl)methanol-, (8.beta.)- BIXJFIJYBLJTMK-UHFFFAOYSA-N LOL 9,10-Didehydro-6-methyl-8-hydroxymethylergoline, (8.beta.)- Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8.beta.)- NSC-196867 AN-25230 Ergoline-8.beta.-methanol,10-didehydro-6-methyl- SCHEMBL257961 CTK8G0692 AC1L1H5E Ergoline-8-methanol,10-didehydro-6-methyl-, (8.beta.)- NSC196867 ARK078 L001137 WLN: T C6656 1A P GN LM CUTT&&T E1Q G [ Show all ]
Inchi Key	BIXJFIJYBLJTMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3
PubChem CID	3982
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	42.65 nM	PMID7984267	PDSP
Ki	43.0 nM	PMID1513320	PDSP

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