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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 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	23869-98-9
Molecular formula	C16H24N2O2
IUPAC name	1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
Molecular weight	276.38
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	12L-933 AKOS005080664 L001311 San 21009 1-((2-Methyl-1H-indol-4-yl)oxy)-3-(tert-butylamino)propan-2-ol CHEMBL1878625 MolPort-002-857-185 SCHEMBL6449612 1-tert.butylamino-3-(2-methyl-indole-4-yloxy)-2-propanol 62658-85-9 Indole-2,4-methylaminopropoxy-N-tert-butyl tartrate PDSP1_001222 2-Debenzoyl rac Bopindolol BGQHPLYSXBZMQG-UHFFFAOYSA-N MCULE-7804650113 Sandoz-21-009 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-propanol 4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole CTK2F7431 NCGC00246579-01 Sdz 21-009 1-[(2-methyl-1H-indol-4-yl)oxy]-3-(tert-butylamino)propan-2-ol AC1L48TL KS-00001SUT PDSP2_001206 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)- C21520 MLS000540501 SCHEMBL6449606 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol 4-(3-t-Butylamino-2-hydroxypropoxy)-2-methylindole HMS2280L19 Oprea1_317174 SMR000125759 [ Show all ]
Inchi Key	BGQHPLYSXBZMQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O2/c1-11-8-13-14(18-11)6-5-7-15(13)20-10-12(19)9-17-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3
PubChem CID	152662
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	<10000.0 nM	Hoyer et al., PMID1986	PDSP

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