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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	Agomelatine
Molecular formula	C15H17NO2
IUPAC name	N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Molecular weight	243.306
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)- PDSP2_001767 Agomelatine [INN:BAN] S20098 AN-3547 ST2419642 BCP02084 Valdoxan (TN) CHEBI:134990 DB06594 HMS3604N09 L000528 N-(2-(7-Methoxy-1-naphthalenyl)ethyl)acetamide A19445 N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide AGO-178 RTC-070882 Agomelatine, >=98% (HPLC) SCHEMBL114476 API0000357 TC-070882 BDBM50035179 YJYPHIXNFHFHND-UHFFFAOYSA-N CS-0740 DSSTox_RID_97317 HY-17038 MCULE-3838308303 137R1N49AD N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetamide AB01274769_02 AC-3395 PDSP1_001784 S035 AKOS005145681 SR-01000944938-1 BBL029084 UNII-137R1N49AD CAS-138112-76-2 D0Y8UB FT-0657383 KS-00000V37 MLS006011913 4CA-0129 N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide(Agomelatine) Acetamide, N-[2-(7-methoxy-1-naphthalenyl)ethyl]- Q-102507 Agomelatine [INN] SB19508 ANW-45263 STL237728 BCP9000250 Valdoxan, Melitor, Thymanax, 138112-76-2 DSSTox_CID_31431 HMS3648G18 LS-9830 N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide AB0005091 AB2000727 NCGC00253646-01 AGO178 S 20098 Agomelatine/ SMR002530056 AWY Thymanax C15H17NO2 ZINC5608 CTK8B4489 DTXSID3057642 I14-1072 Melitor 138112-76-2 N-[2-(7-Methoxy-1-naphthalenyl)ethyl]-acetamide AC1L32UM PDSP2_001289 Agomelatine (INN) s1243 AM20090763 SR-01000944938-3 BC681920 Valdoxan CCG-221950 GTPL198 KS-1247 MolPort-006-170-152 N-[2-(7-methoxy-1-naphthyl)ethyl]acetamide N-[2-(7-Methoxynaphth-1-Yl)Ethyl]Acetamide AGO 178 RL01671 Agomelatine(INN) SC-20244 AOB4719 SW219177-1 BCPP000421 Valdoxan, Melitor, Thymanax, Agomelatine CHEMBL10878 DSSTox_GSID_57642 HMS3654B07 M-1683 112A762 N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide AB01274769-01 ABP000593 PDSP1_001305 AGO178C S-20098 AJ-08251 SR-01000944938 B2262 Tox21_113772 CA0119 D02578 F0001-2383 KB-55264 MFCD00916659 N-[2-(7-Methoxy-1-naphthalenyl)ethyl]-acetamide; S-20098 [ Show all ]
Inchi Key	YJYPHIXNFHFHND-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PubChem CID	82148
ChEMBL	CHEMBL10878
IUPHAR	198
BindingDB	50035179
DrugBank	DB06594
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	630.0 nM	PMID26820449	BindingDB,ChEMBL
Ki	630.958 nM	PMID12750432	IUPHAR
Ki	707.946 nM	PMID12750432	PDSP
Ki	707.95 nM	PMID12750432	BindingDB
Ki	708.0 nM	PMID22301214	BindingDB,ChEMBL

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