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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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	(+-)2,5-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 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 (+-)-2,5-Dimethoxy-4-bromoamphetamine (+/-)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 2,5-Dimethoxy-4-bromoamphetamine 32156-26-6 64638-07-9 Benzeneethanamine,4-bromo-2,5-dimethoxy-.alpha.-methyl-(.+/-.)- DTXSID5050428 NCGC00168267-02 (+)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 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 (+-)-4-Bromo-2,5-dimethoxy-alpha-methylphenethylamine (-)-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-(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 (+-)-1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane [ 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	2.88 nM	PMID10498829	BindingDB
Ki	2.88403 nM	PMID10498829	PDSP
Ki	25.1189 - 39.8107 nM	PMID15322733, PMID9933142	IUPHAR
Ki	26.9 nM	PMID9933142	PDSP,BindingDB
Ki	43.65 nM	PMID15322733	BindingDB
Ki	43.6516 nM	PMID15322733	PDSP

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