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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	SB 206553
Molecular formula	C17H16N4O
IUPAC name	1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Molecular weight	292.342
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	ZINC5994 BDBM50060417 CTK8H1211 NCGC00015917-01 SB-206553 hydrochloride hydrate C11740 GTPL189 NCGC00015917-04 Tocris-1661 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide AKOS027381420 Lopac-S-180 NCGC00025248-02 SB-206,553 5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-carboxylic acid pyridin-3-ylamide Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl- D03YPJ NCGC00015917-02 SB206553 AC1L1JQU CCG-205237 KB-292801 NCGC00015917-07 UNII-AL4387525T 158942-04-2 AL4387525T CHEMBL297784 Lopac0_001163 pyrrolo[2,3-f]indole-1(2h)-carboxamide, 3,5-dihydro-5-methyl-n-3-pyridinyl- SB-206553 5-Methyl-N-(3-pyridinyl)-3,5-dihydropyrrolo[2,3-f]indole-1(2H)-carboxamide BRD-K36395411-003-01-4 DTXSID9043984 NCGC00015917-03 SCHEMBL1459242 1-methyl-N-(3-pyridyl)-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide AC1Q5NRE CHEBI:8977 L001241 NCGC00025248-01 [ Show all ]
Inchi Key	QJQORSLQNXDVGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
PubChem CID	5163
ChEMBL	CHEMBL297784
IUPHAR	189
BindingDB	50060417
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	3.16228 - 25.1189 nM	PMID15322733, PMID15466450	IUPHAR
Ki	4.3 nM	PMID20958049	BindingDB,ChEMBL
Ki	5.49541 nM	PMID11882920	PDSP
Ki	5.5 nM	PMID11882920	BindingDB
Ki	12.0 nM	PMID24365159	ChEMBL
Ki	12.02 nM	PMID24365159	ChEMBL
Ki	21.0 nM	MedChemComm, (2015) 6:4:601, http://pubs.rsc.org/en/content/articlepdf/2015/md/c4md00418c	PDSP,ChEMBL
Ki	22.3872 nM	PMID15322733	PDSP
Ki	22.39 nM	PMID15322733	BindingDB
Ki	25.12 nM	PMID9572885, PMID9357513	ChEMBL

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