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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	PDSP1_001355 (+-)-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 GTPL163 SCHEMBL714339 (+-)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 NCGC00168267-01 (+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine (-)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 PDSP2_001339 (+-)-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 L000010 UNII-67WJC4Y2QY (+/-)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 NCGC00168267-02 (+)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 Racemic DOB (+-)-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 LS-174368 [3H](+)DOB (-)-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 [ 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	1.25893 - 158.489 nM	PMID15322733, PMID9933142, PMID10611640	IUPHAR
Ki	1.3 nM	PMID9933142	PDSP,BindingDB
Ki	6.30957 nM	PMID15322733	PDSP
Ki	6.31 nM	PMID15322733	BindingDB
Ki	7.76 nM	PMID10498829	BindingDB
Ki	7.76247 nM	PMID10498829	PDSP

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