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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.
Go to the GPCR page and check other ligands which interact with it.
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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	AC-42
Molecular formula	C20H31NO
IUPAC name	4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Molecular weight	301.474
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	D00REH AKOS030284249 GTPL289 SCHEMBL4504348 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one D0T2RY L019209 4-(4-butylpiperdin-1-yl)-1-(2-methylphenyl)butan-1-one ANTKBACNWQHQJE-UHFFFAOYSA-N ZINC2022527 4-n-Butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]piperidine CHEMBL1242950 AC42 gamma-(4-Butylpiperidino)-2'-methylbutyrophenone NCGC00485453-01 4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one BDBM50326219 [ Show all ]
Inchi Key	ANTKBACNWQHQJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
PubChem CID	9948320
ChEMBL	CHEMBL1242950
IUPHAR	289
BindingDB	50326219
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>1000.0 nM	PMID20684563	BindingDB
Ki	1000.0 nM	PMID20684563	ChEMBL

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