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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-269970
Molecular formula	C18H28N2O3S
IUPAC name	3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
Molecular weight	352.493
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CHEBI:92426 GTPL3233 Pyrrolidine, 1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-methyl-1-piperidinyl)ethyl)-, (R)- SCHEMBL375474 (r)-3-(2-(2-(4-methylpiperidin-1-yl)-ethyl)pyrrolidine-1-sulfonyl)phenol 3-{(S)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AJ-47584 AX8294918 CS-1645 KB-80497 SB-269,970 ZINC3982174 201038-74-6 BRD-K24201553-003-02-4 NCGC00025229-02 SB19510 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol AB0048092 GTPL3247 Pyrrolidine,1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-Methyl-1-piperidinyl)ethyl)-,(R)- ST24035398 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-ylsulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AK163801 BCPP000080 D0IT3X Lopac0_001059 [3H]SB269970 2921AH CCG-205136 FT-0771258 NCGC00025229-03 SB269970 (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol 3-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AC1O7H0E CHEMBL282199 HY-15370 SB 269970 Tocris-1612 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol (SB-269970) AKOS024465019 BDBM50098551 D0YP7L NCGC00025229-01 SB-269970-A 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol [ Show all ]
Inchi Key	HWKROQUZSKPIKQ-MRXNPFEDSA-N
Inchi ID	InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
PubChem CID	6604889
ChEMBL	CHEMBL282199
IUPHAR	3233, 3247
BindingDB	50098551
DrugBank	DB13988
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>6309.57 nM	PMID10669560	ChEMBL
Ki	6309.57 nM	PMID10669560	BindingDB

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