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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	CHEMBL29433
Molecular formula	C23H26ClN3O3S2
IUPAC name	N-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight	492.049
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.2
Synonyms	5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid ((S)-3-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl-4-methoxy-phenyl)-amide BDBM50130270 N-[3-[(8aalpha)-Octahydropyrrolo[1,2-a]pyrazine-2-yl]-4-methoxyphenyl]-3-methyl-5-chlorobenzo[b]thiophene-2-sulfonamide 5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-4-methoxy-phenyl]-amide
Inchi Key	DVALOPXWVWHIHY-SFHVURJKSA-N
Inchi ID	InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
PubChem CID	9913554
ChEMBL	CHEMBL29433
IUPHAR	N/A
BindingDB	50130270
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1584.89 nM	PMID11992776	ChEMBL
Ki	1585.0 nM	PMID11992776	BindingDB

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