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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	SB-271046
Molecular formula	C20H22ClN3O3S2
IUPAC name	5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight	451.984
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.2
Synonyms	5-Chloro-N-[4-methoxy-3-(1-piperazinyl)phenyl]-3-methylbenzo[b]thiophene-2-sulfonamide BDBM28583 KB-60401 Sb 271046 SW219941-1 ZINC1489208 AC1NSM3X CHEMBL431298 MolPort-021-806-425 5-chloro-N-(4-methoxy-3-(piperazin-1-yl)phenyl)-3-methylbenzo[b]thiophene-2-sulfonamide BC282896 GTPL276 PDSP2_001357 SB271046 HCl UNII-L3SK5KX24S 209481-20-9 5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide hydrochloride C20H22ClN3O3S2 L000544 SB 271046 HCl AKOS005266659 D07LRJ NCGC00386219-06 SB19511 5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide BCP03713 HMS3651D19 s2856 SCHEMBL194700 Z-3245 2704AH 5-chloro-N~2~-(4-methoxy-3-piperazinophenyl)-3-methyl-1-benzothiophene-2-sulfonamide L3SK5KX24S SB-271,046 5-Chloro-N-(4-methoxy-3-(1-piperazinyl)phenyl)-3-methylbenzo(b)thiophene-2-sulfonamide API0006978 EX-A2155 PDSP1_001373 SB271046 [ Show all ]
Inchi Key	LOCQRDBFWSXQQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
PubChem CID	5312149
ChEMBL	CHEMBL431298
IUPHAR	276
BindingDB	28583
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	PMID11992776	BindingDB,ChEMBL

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