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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	(S)-Mda
Molecular formula	C10H13NO2
IUPAC name	(2S)-1-(1,3-benzodioxol-5-yl)propan-2-amine
Molecular weight	179.219
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.6
Synonyms	CHEMBL1788307 Phenethylamine, alpha-methyl-3,4-(methylenedioxy)-, (S)- (2S)-1-(1,3-benzodioxol-5-yl)propan-2-amine 1,3-Benzodioxole-5-ethanamine, alpha-methyl-, (S)- (9CI) MDA,S(+) UNII-940U7323I4 (S)-alpha-Methyl-3,4-(methylenedioxy)phenethylamine 940U7323I4 CAS_3050061 PDSP1_001412 ZINC403033 1,3-Benzodioxole-5-ethanamine, alpha-methyl-, (alphaS)- DTXSID80215872 SCHEMBL15162053 (S)-3,4-Methylenedioxyamphetamine 65620-66-8 NSC_3050061 UNII-XJZ28FJ27W component NGBBVGZWCFBOGO-SSDOTTSWSA-N (S)-beta-3,4-Methylenedioxyamphetamine AC1MHELK PDSP2_001396 1,3-Benzodioxole-5-ethanamine, alpha-methyl-, (S)- LS-103646 Tenamfetamine, (+)- (S)-alpha-Methyl-1,3-benzodioxole-5-ethanamine PDSP1_001411 UNII-XJZ28FJ27W component NGBBVGZWCFBOGO-ZETCQYMHSA-N BDBM86238 [ Show all ]
Inchi Key	NGBBVGZWCFBOGO-ZETCQYMHSA-N
Inchi ID	InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
PubChem CID	3050061
ChEMBL	CHEMBL1788307
IUPHAR	N/A
BindingDB	86238
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	100.0 nM	PMID12761331	BindingDB

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