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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	Roxindole
Molecular formula	C23H26N2O
IUPAC name	3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight	346.474
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.6
Synonyms	AC1L55YV D01GEB NCGC00025216-02 roxindolum 119742-13-1 (mesylate) BDBM50002173 DSSTox_RID_80082 PDSP2_001376 Tox21_110955 108050-82-4 (mono HCL) 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol L001062 Roxindole [INN] ZINC1548439 118372-EP2298764A1 AC1Q7AGH DSSTox_CID_23895 NCGC00025216-03 SCHEMBL49673 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol CAS-112192-04-8 DTXSID5043895 roxindol Tox21_110955_1 112192-04-8 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CHEMBL431367 NCGC00025216-01 roxindole[inn] 118372-EP2298765A1 AJ-26886 DSSTox_GSID_43895 PDSP1_001392 Tocris-1559 100239-55-2 (x HCl) 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridylbutyl)indol-5-ol 43227SMS0O CHEBI:48558 GTPL52 UNII-43227SMS0O 118372-EP2275420A1 [ Show all ]
Inchi Key	HGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID	219050
ChEMBL	CHEMBL431367
IUPHAR	52
BindingDB	50002173
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	30.9 nM	PMID12388666	BindingDB
Ki	30.903 nM	PMID12388666	PDSP
Ki	31.6228 nM	PMID12388666	IUPHAR

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