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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.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	A22556 CCG-204447 L000077 NCGC00015182-05 Tocris-0458 3-(2-Aminoethyl-1H-indole-5-carboxamide AKOS027380025 CHEMBL18840 LS-82468 NCGC00024598-03 ZINC2539813 1H-Indole-5-carboxamide,3-(2-aminoethyl)- 74885-09-9 BPBio1_001405 GTPL4 NCGC00015182-03 RTR-033194 [3H]-5-Carboxyamidotryptamine 3-(2-aminoethyl)-1H-indole-5-carboxamide AC1L1CAC CHEBI:48292 Lopac-C-117 NCGC00024598-01 UNII-91H76044O0 BDBM21392 CTK5E0633 NCGC00015182-01 PDSP1_000774 [3H]-5-Carboxamide tryptamine 5-Carboxyamidotryptamine 91H76044O0 BRD-K92382976-103-01-8 KB-334392 NCGC00015182-04 SCHEMBL2677791 [3H]-5-CT 3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide AC1Q5DOI Lopac0_000352 NCGC00024598-02 WKZLNEWVIAGNAW-UHFFFAOYSA-N 1H-Indole-5-carboxamide, 3-(2-aminoethyl)- 5-Carboxamide tryptamine 5-CT Biomol-NT_000109 D02UWB NCGC00015182-02 PDSP2_000762 [3h]-5-carboxamidotryptamine 3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE [ 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
IC50	588.84 nM	Bioorg. Med. Chem. Lett., (1994) 4:10:1207	ChEMBL
IC50	589.0 nM	N/A	BindingDB
Ki	199.526 - 6309.57 nM	PMID15322733, PMID10611640	IUPHAR
Ki	204.17 nM	PMID15322733	BindingDB
Ki	204.174 nM	PMID15322733	PDSP
Ki	407.38 nM	PMID10498829	BindingDB
Ki	407.38 nM	PMID10498829	PDSP
Ki	620.0 nM	PMID3543362	BindingDB,ChEMBL
Ki	2511.89 nM	PMID14613313	ChEMBL
Ki	4270.0 nM	Hoyer et al., PMID1986	PDSP

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