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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	CHEMBL3771373
Molecular formula	C15H21N5
IUPAC name	4-N-(4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
Molecular weight	271.368
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BDBM50148839 MolPort-002-183-253 4-N-(4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine CCG-22548 ZINC203751 AC1Q2MJQ MCULE-8119910762 BIM-0044469.P001 N~4~-(4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine AKOS001661697 MolPort-001-812-300 10-N-(4-methylphenyl)-7,9,11-triazaspiro[5.5]undeca-7,10-diene-8,10-diamine CBMicro_044432 SCHEMBL17196796 AC1M4UQN [ Show all ]
Inchi Key	ATHVBUBNYPMQAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21N5/c1-11-5-7-12(8-6-11)17-14-18-13(16)19-15(20-14)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19,20)
PubChem CID	2267399
ChEMBL	CHEMBL3771373
IUPHAR	N/A
BindingDB	50148839
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	485.9 nM	PMID26700945	ChEMBL
IC50	486.0 nM	PMID26700945	BindingDB
Inhibition	50.2 %	PMID26700945	ChEMBL

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