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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	duloxetine
Molecular formula	C18H19NOS
IUPAC name	(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
Molecular weight	297.416
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	LY 248686 N-Methyl-gama-(1-naphthalenyloxy)-2-thiophenepropanamine (3s)-N-Methyl-3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-Yl)propan-1-Amine PDSP2_000953 (S)-Duloxetine;LY248686 SCHEMBL8291 29E ZINC1536779 AC1Q57H7 BC209438 CM14423 DB00476 GTPL202 methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine NCGC00164559-02 (3s)-n-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1amine RTC-064103 (S)-N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine VA11973 AB00639911-13 AN-15424 CAS_136434-34-9 CTK8B9954 Duloxetine (INN) HY-B0161 MLS001423946 (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine PDSP1_000969 (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine SBI-0206832.P001 2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (S)- Yentreve (TN) AC-15704 AS-35259 D01AXB duloxetine, (+)-isomer KB-211921 LY-248686 NC00013 (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1 amine PDSP2_001369 (S)-N-methyl-3-(1-naphthalenyloxy)-3-(2-thienyl) propanamine SMR000449282 539D594 AJ-26827 BDBM84745 CPD000449282 DTXSID6048385 HMS2051I05 MFCD06801358 (+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamin NCGC00164559-04 (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine SAM001247059 116539-59-4 Xeristar AB00639911_15 ANW-63714 CCG-100763 Cymbalta Duloxetine Boehringer Ingelheim J-003455 LS-172322 MolPort-003-847-038 (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine PDSP1_001385 (S)-Duloxetine SC-19047 ZEUITGRIYCTCEM-KRWDZBQOSA-N AC1L1U0Q AX8017669 CHEMBL1175 D07880 FT-0657836 LY248686 NCGC00164559-01 (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine RL00632 (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine UNII-O5TNM5N07U AKOS015851058 C18H19NOS CS-2885 HSDB 7368 MLS000758267 (+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine monohydrochloride O5TNM5N07U (S)-(+)-N-methyl-3-(1-naphthaleneoxy)-3-(2-thienyl)propanamine SB19317 2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (gammaS)- Yentreve AB00639911_16 Ariclaim CHEBI:36795 Cymbalta (TN) Duloxetine [INN:BAN] J-523680 [ Show all ]
Inchi Key	ZEUITGRIYCTCEM-KRWDZBQOSA-N
Inchi ID	InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
PubChem CID	60835
ChEMBL	CHEMBL1175
IUPHAR	202
BindingDB	84745
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	916.0 nM	PMID11750180	BindingDB
Ki	1000.0 nM	PMID11750180	IUPHAR

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