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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	1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular formula	C11H16INO2
IUPAC name	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	D07XTU GTPL147 NCGC00015302-04 SCHEMBL293580 2,5-dimethoxy-4-iodoamphetamine hydrochloride 82830-53-3 BGMZUEKZENQUJY-UHFFFAOYSA- CCG-204558 DOI,(+) L000011 PDSP1_001383 [125I]4-iodo-2,5-dimethoxyphenylisopropylamine 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane AC1Q1QZQ CHEMBL6616 DTXSID7040520 MFCD05662244 Racemic DOI ( -)-DOI 2,5-dimethoxy 4-iodoamphetamine 4-Iodo-2,5-dimethoxyamphetamine BDBM28582 BGMZUEKZENQUJY-UHFFFAOYSA-N DB-008006 InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 NCGC00162163-01 UNII-OOM10GW9UE 1-(2,5-dimethoxy-4-iodopheny)-2-aminopropane 2,5-Dimethoxy-4-iodophenylisopropylamine 9890AB CHEBI:64629 DOI,(-) Lopac0_000466 PDSP2_001367 4-DOI AKOS015965128 CTK8J8388 FT-0666888 NCGC00015302-03 RW3494 (+-)-DOI 2,5-Dimethoxy-4-iodoamphetamine 64584-34-5 Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl- C11H16INO2 DOI KB-214892 OOM10GW9UE [125I]2,5-dimethoxy-4-iodoamphetamine 1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine AC1L1B0E DOI-P LS-176383 QC-2023 4-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamine AX8051181 [ Show all ]
Inchi Key	BGMZUEKZENQUJY-UHFFFAOYSA-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
PubChem CID	1229
ChEMBL	CHEMBL6616
IUPHAR	147
BindingDB	28582
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.5 nM	PMID26988801, PMID27876250	BindingDB,ChEMBL
IC50	3.2 nM	PMID23582449	ChEMBL
IC50	3.5 nM	PMID18983139	ChEMBL
IC50	4.0 nM	PMID23466604	ChEMBL
Ki	1.41 nM	PMID10498829	BindingDB
Ki	1.41254 nM	PMID10498829	PDSP
Ki	2.0 nM	PMID23466604, PMID21726069	BindingDB,ChEMBL
Ki	3.5 nM	PMID18983139	ChEMBL
Ki	7.07946 nM	PMID11882920	PDSP
Ki	7.08 nM	PMID11882920	BindingDB
Ki	19.9 nM	PMID8078486	PDSP,BindingDB
Ki	19.9 - 25.1 nM	PMID9933142, PMID8078486, PMID12970106	IUPHAR
Ki	20.0 nM	PMID9933142	PDSP,BindingDB
Ki	20.2 nM	PMID8632342	PDSP,BindingDB
Ki	28.18 nM	PMID15322733	BindingDB
Ki	28.1838 nM	PMID15322733	PDSP
Ki	42.7 nM	PMID9857084	BindingDB,ChEMBL
Ki	53.7 nM	PMID15322733	BindingDB
Ki	53.7032 nM	PMID15322733	PDSP

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