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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular formula	C15H17N3
IUPAC name	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular weight	239.322
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.1
Synonyms	PNU-181731A SCHEMBL1620274 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine D02YNH PHA-181731A AKOS027383987 PNU-57378 1065110-62-4 CHEMBL1770373 ZINC68150324 5-HT 2 agonists, Pharmacia NCGC00485021-01 PHA-670080 BDBM50342538 PNU-57378E CZWQBSKNHUVZLI-UHFFFAOYSA-N PF-3246799 [ Show all ]
Inchi Key	CZWQBSKNHUVZLI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
PubChem CID	25070582
ChEMBL	CHEMBL1770373
IUPHAR	N/A
BindingDB	50342538
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID24878222	BindingDB,ChEMBL
Emax	33.0 %	PMID21195614	ChEMBL
Emax	41.0 %	PMID24878222	ChEMBL

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