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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	Ergoatetrine
Molecular formula	C19H23N3O2
IUPAC name	N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	325.412
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	BPBio1_001359 Ergoline-8-.alpha.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- N-(2-Hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8.beta.(S)-carboxamide # Oprea1_121118 9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8.beta.-carboxamide CHEMBL1368134 Ergotrate (Salt/Mix) WVVSZNPYNCNODU-UHFFFAOYSA-N BDBM81446 D-Lysergic acid-L,2-propanolamide N-(.alpha.-(Hydroxymethyl)ethyl)-D-lysergomide 9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-.alpha.-carboxamide BRD-A73581086-001-01-3 Ergoline-8-.beta.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- NCGC00163165-01 PDSP1_001743 9-(2-Hydroxy-1-methylethylcarbamoyl)-4,6,6a,7,8,9-hexahydro-7-methylindolo[4,3-fg]quinoline Cornocentin (Salt/Mix) Ermetrine (Salt/Mix) Biomol-NT_000067 N-(1-(Hydroxymethyl)ethyl)-D-lysergomide 9,10-Didehydro-N-(.alpha.-(hydroxymethyl)ethyl)-6-methylergoline-8-.beta.-carboxamide CHEBI:91849 Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]- NSC_104873 PDSP2_001726 AC1L1FIH Crude ergot (Salt/Mix) L000683 [ Show all ]
Inchi Key	WVVSZNPYNCNODU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
PubChem CID	3250
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81446
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	87.09 nM	PMID7984267	BindingDB
Ki	88.0 nM	PMID1513320	BindingDB

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