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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	5-Carboxamidotryptamine
Molecular formula	C11H13N3O
IUPAC name	3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight	203.245
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	-0.6
Synonyms	3-(2-Aminoethyl-1H-indole-5-carboxamide A22556 CCG-204447 L000077 NCGC00015182-05 Tocris-0458 1H-Indole-5-carboxamide,3-(2-aminoethyl)- AKOS027380025 CHEMBL18840 LS-82468 NCGC00024598-03 ZINC2539813 3-(2-aminoethyl)-1H-indole-5-carboxamide 74885-09-9 BPBio1_001405 GTPL4 NCGC00015182-03 RTR-033194 [3H]-5-Carboxyamidotryptamine AC1L1CAC CHEBI:48292 Lopac-C-117 NCGC00024598-01 UNII-91H76044O0 5-Carboxyamidotryptamine BDBM21392 CTK5E0633 NCGC00015182-01 PDSP1_000774 [3H]-5-Carboxamide tryptamine 3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide 91H76044O0 BRD-K92382976-103-01-8 KB-334392 NCGC00015182-04 SCHEMBL2677791 [3H]-5-CT 1H-Indole-5-carboxamide, 3-(2-aminoethyl)- 5-Carboxamide tryptamine AC1Q5DOI Lopac0_000352 NCGC00024598-02 WKZLNEWVIAGNAW-UHFFFAOYSA-N 3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE 5-CT Biomol-NT_000109 D02UWB NCGC00015182-02 PDSP2_000762 [3h]-5-carboxamidotryptamine [ Show all ]
Inchi Key	WKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID	1809
ChEMBL	CHEMBL18840
IUPHAR	4
BindingDB	21392
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	15.4882 nM	PMID10498829	PDSP
Ki	15.49 nM	PMID10498829	BindingDB
Ki	116.0 nM	PMID8632342	PDSP,BindingDB
Ki	125.893 - 199.526 nM	PMID15322733, PMID8078486	IUPHAR
Ki	127.0 nM	PMID8078486	PDSP,BindingDB
Ki	186.209 nM	PMID15322733	PDSP
Ki	186.21 nM	PMID15322733	BindingDB

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