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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	sumatriptan
Molecular formula	C14H21N3O2S
IUPAC name	1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular weight	295.401
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.9
Synonyms	AVP825 C14H21N3O2S GR 43175X Imigran Recovery L000584 (3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide NCGC00095838-03 103628-46-2 SMR000596517 Sumatriptanum [INN-Latin] AB00698285_15 BIDD:GT0248 CHEBI:10650 DSSTox_GSID_23628 HMS2231B21 Imitrex, Imigran ,Treximet MLS001195659 1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide O262 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide Sumatran 8R78F6L9VO Tox21_111528_1 AKOS015894924 BSPBio_002304 D00451 FT-0631027 I06-0076 KQKPFRSPSRPDEB-UHFFFAOYSA-N NCGC00095838-01 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide SC-18016 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulphonamide Sumatriptan [USP:INN:BAN] AB00698285-13 Zembrace SymTouch AVP 825 BCP02237 CAS-103628-46-2 DB00669 GR-43175 Imitrex (TN) LS-83175 (3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide # NCGC00095838-04 103628-48-4 (succinate) SPECTRUM1505372 Sumax AC1L1K6B BRD-K50938287-001-01-7 DSSTox_RID_77118 HMS3369A05 J-001014 MLS001304742 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Onzetra Xsail 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole -5-methanesulphonamide AB0016356 UNII-8R78F6L9VO AN-5271 C07319 D0Z6UC GR 43175 Imigran (TN) KS-1116 NCGC00095838-02 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide SCHEMBL1482 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide Sumatriptanum AB00698285_14 ZINC14360 AVP-825 BDBM50005835 CCG-230331 DSSTox_CID_3628 GTPL54 Imitrex Oral MCULE-3991948648 NP101 1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl- STL451003 628S462 Tox21_111528 AJ-08373 BRN 6930870 CHEMBL128 DTXSID4023628 HSDB 7742 KB-217141 MolPort-002-885-863 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide SBI-0206837.P001 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide Sumatriptan (JAN/USP/INN) AB00698285-12 Zecuity API0004291 [ Show all ]
Inchi Key	KQKPFRSPSRPDEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
PubChem CID	5358
ChEMBL	CHEMBL128
IUPHAR	54
BindingDB	50005835
DrugBank	DB00669
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID9225287, PMID8632342	PDSP,BindingDB

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