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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	MDMA
Molecular formula	C11H15NO2
IUPAC name	1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Molecular weight	193.246
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.2
Synonyms	PDSP2_001506 XTC [Street Name] (+-)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-aminopropane 1,3-Benzodioxole-5-ethanamine,N,a-dimethyl- 42542-10-9 C07577 D11172 Epitope ID:178091 LS-34695 Midomafetamine (USAN/INN) N-METHYL-3,4-METHYLENEDIOXYAMPHETAMINE rac-MDMA (rac-3,4-Methylenedioxymethamphetamine) 1.0 mg/ml in Methanol (+/-)-3,4-METHYLENEDIOXYMETHAMPHETAMINE 3,4-MDMA 64057-70-1 (hydrochloride) DEA No. 7405 HSDB 6929 NINDS_000962 UNII-KE1SEN21RM ( inverted exclamation markA)-1,3-benzodioxolyl-N-methyl-2-propanamine( inverted exclamation markA)-3,4-methylenedioxy-N-methyl-\|A-methyl-2-phenethylamineDL-3,4-methylenedioxy-N-methylamphetaminemethylenedioxymethamphetamine 3,4-methylenedioxymethamphetamine AKOS006283463 D0EX3I Ecstasy KBio1_000962 Methylenedioxymethamphetamine Phenethylamine, N,alpha-dimethyl-3,4-methylenedioxy- [1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine (+-)-N-Methyl-3,4-(methylenedioxy)amphetamine 1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine CCRIS 9277 FT-0693477 LS-34696 Midomafetamine [USAN] NCGC00168266-01 SCHEMBL44210 (+/-)-MDMA solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 3,4-Methylenedioxy-N,alpha-dimethyl-beta-phenylethylamine 69610-10-2 CHEMBL43048 DivK1c_000962 I14-2777 MDMA (unspecified) PDSP1_001522 XTC (+-)-(3,4-Methylenedioxy)methamphetamine 1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl- 3,4-methylenedioxymethylamphetamine BDBM50010588 D0F5NJ Ecstasy (Drug) KE1SEN21RM Midomafetamine N,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine rac-3,4-Methylenedioxymethamphetamine (+/-)-(3,4-Methylenedioxy)methamphetamine 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine 54946-52-0 CHEBI:1391 DB01454 GTPL4574 Mandy [Street Name] NCGC00168266-02 SHXWCVYOXRDMCX-UHFFFAOYSA-N (RS)-3,4-(methylenedioxy)methamphetamine 3,4-Methylenedioxy-N-methylamphetamine (MDMA) AC1L1BUR CTK5D0599 DL-(3,4-Methylenedioxy)methamphetamine IDI1_000962 Methylenedioxy Methamphetamine [ Show all ]
Inchi Key	SHXWCVYOXRDMCX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
PubChem CID	1615
ChEMBL	CHEMBL43048
IUPHAR	N/A
BindingDB	50010588
DrugBank	DB01454
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	500.0 nM	PMID12761331, http://molpharm.aspetjournals.org/cgi/content/full/63/6/1223	PDSP,BindingDB
Ki	700.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	2000.0 nM	PMID12761331, http://molpharm.aspetjournals.org/cgi/content/full/63/6/1223	PDSP,BindingDB

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