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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	CHEMBL134519
Molecular formula	C11H16INO2
IUPAC name	(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	321.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(R)-2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine CCG-204569 PDSP2_001372 D01TSX ZINC2516053 (-)-DOI (R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine BDBM50133231 NCGC00162167-01 (R)-DOI R-DOI 82864-06-0 GTPL157 (2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine (R)-2-(4-Iodo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)- PDSP1_001388 SCHEMBL713061 AJ-36945 Lopac0_000478 (r)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane [ Show all ]
Inchi Key	BGMZUEKZENQUJY-SSDOTTSWSA-N
Inchi ID	InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
PubChem CID	9840090
ChEMBL	CHEMBL134519
IUPHAR	157
BindingDB	50133231
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	18.0 nM	PMID16392816, PMID12954071	BindingDB,ChEMBL
Ki	19.9526 nM	PMID12954071	IUPHAR
Ki	39.8107 - 50.1187 nM	PMID15322733, PMID9857084	IUPHAR

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