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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	Brolamfetamine
Molecular formula	C11H16BrNO2
IUPAC name	1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	274.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	(-)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-Dimethoxy-(4-bromo)phenylisopropylamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine(DOB) 4-DOB Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl- Brolanfetamina DOB LS-174368 [3H](+)DOB (+-)-1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane 1-(2,5-Dimethoxyphenyl-4-bromo)-2-aminopropane 2,5-dimethoxy-4-bromoamphetamine, monohydrobromide, (S)-isomer 4-Bromo-2,5-dimethoxy-alpha-methylbenzeneethanamine 67WJC4Y2QY CHEMBL6607 FT-0666882 PDSP1_001355 (+-)2,5-Dimethoxy-4-bromoamphetamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((R)-(-)-DOB) 4-Bromo-2,5-dimethoxyphenylisopropylamine ACM32156266 Brolamfetaminum DEA No. 7391 GTPL163 SCHEMBL714339 (-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-DIMETHOXY-4-BROMAMPHETAMIN 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine[R(-)DOB] Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (+-)- Brolanfetamina [Spanish] DOB-4 NCGC00168267-01 (+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine (+-)-2,5-Dimethoxy-4-bromoamphetamine 1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 4-Bromo-2,5-dimethoxy-amphetamine AC1L1WEM Brolamfetamine [INN] D00WEQ FXMWUTGUCAKGQL-UHFFFAOYSA-N PDSP2_001339 (+/-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((S)-(+)-DOB) 4-Bromo-DMA BDBM50005257 Brolamfetaminum [Latin] dl-2,5-Dimethoxy-4-bromoamphetamine L000010 UNII-67WJC4Y2QY (+)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-Dimethoxy-4-bromoamphetamine 32156-26-6 64638-07-9 Benzeneethanamine,4-bromo-2,5-dimethoxy-.alpha.-methyl-(.+/-.)- DTXSID5050428 NCGC00168267-02 (+-)-4-Bromo-2,5-dimethoxy-alpha-methylphenethylamine 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((-)-DOB) 4-Bromo-2,5-dimethoxyamphetamine AC1Q25W8 brolamfetamine[inn] DB01484 GTPL155 Racemic DOB [ Show all ]
Inchi Key	FXMWUTGUCAKGQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PubChem CID	62065
ChEMBL	CHEMBL6607
IUPHAR	155, 163
BindingDB	50005257
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	556.0 nM	PMID2664084	PDSP,BindingDB

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