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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	amitriptyline
Molecular formula	C20H23N
IUPAC name	N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Molecular weight	277.411
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.0
Synonyms	MolPort-001-662-651 NCGC00015095-06 NCGC00183047-01 Prestwick2_000074 SCHEMBL7824 Spectrum_000044 Tryptanol Laroxyl (Salt/Mix) Amitriptilina [INN-Spanish] Amitriptylinum [INN-Latin] 10,11-Dihydro-5-(.gamma.-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene BAS 00269727 1409-EP2275420A1 BRD-K53737926-003-05-4 1409-EP2314585A1 CCRIS 9174 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine Damilen 5-(.gamma.-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene DivK1c_000766 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene Endep 5H-Dibenzo(a,d)cycloheptene-.delta.(sup 5),.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_002261 AB00514631 KBioGR_002261 Lopac-A-8404 NCGC00015095-01 NCGC00015095-09 Oprea1_479304 Redomex SPBio_002208 TP0 Vanatrip (Salt/Mix) KRMDCWKBEZIMAB-UHFFFAOYSA-N Amitriptylin [German] Amytriptiline 10,11-dihydro-N,N-dimethl-5H-dibenzo[a,d]cycloheptene-(delta(5, gamma))-propylamine BC203219 1409-EP2298731A1 BSPBio_000287 CHEMBL629 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine DB00321 5-(3'-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene EC 200-041-6 5-(gamma-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene GTPL200 5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_005560 Adepril MCULE-3537115467 NCGC00015095-04 NCGC00015095-12 Prestwick0_000074 SBB080793 Spectrum4_000146 Triptisol ZX-AS004743 Laroxil Amitriptyline [INN:BAN] 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl- API0001457 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(sup 5),gamma-propylamine BIDD:GT0115 1409-EP2305652A2 CAS-549-18-8 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine, hydrochloride D0Y5UG 5-(.gamma.-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene dimethyl({3-[(2Z)-tricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene Elavil KBio1_000766 AB00053417_13 KBio3_002741 Amitriprolidine MRF-0000533 NCGC00015095-07 NINDS_000766 Prestwick3_000074 Seroten STK525215 Tryptomer, Triplent(Talent India) Laroxyl (TN) Amitriptilina [Italian] Amitryptiline 10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene BBC/541 1409-EP2277861A1 BRD-K53737926-003-14-6 17086-03-2 (pamoate (2:1)) CHEBI:2666 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine Damitriptyline 5-(.gamma.-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene Domical (Salt/Mix) 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene Flavyl 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_002992 AC1L1D20 KBioSS_000424 Lopac0_000112 NCGC00015095-02 NCGC00015095-10 PDSP1_001564 Ro 4-1575 Spectrum2_000101 Triptanol W-109252 L001041 (3-(5,6-dihydrodibenzo[b,f][7]annulen-11-ylidene)propyl)dimethylamine Amytriptylin 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-.DELTA.5,.gamma.-propylamine BCP09083 1409-EP2298764A1 BSPBio_001836 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin cMAP_000001 30227-34-0 (maleate (1:1)) dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene EINECS 200-041-6 5-(gamma-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene HSDB 3007 5H-Dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl- (6CI,8CI) 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene KBio2_007397 AKOS000512694 MK 230 NCGC00015095-05 NCGC00024433-04 Prestwick1_000074 SBI-0050100.P004 Spectrum5_000806 Triptizol (Salt/Mix) [3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine Laroxyl Amitriptilina Amitriptylinum 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl- ARONIS24381 1409-EP2269989A1 BPBio1_000317 1409-EP2305669A1 CCG-204207 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine Damilan 5-(.gamma.-Dimethylaminopropylidene)-5H-dibenzo(a,d)-10,11-dihydrocycloheptene dimethyl({3-[(2Z)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5-(3-dimethylaminopropylidene)dibenzo[a,d][1,4]-cycloheptadiene Elavil (TN) 549-18-8 (hydrochloride) KBio2_000424 AB00053417_14 KBioGR_000592 Lentizol (Salt/Mix) N 750 NCGC00015095-08 NSC169910 Proheptadiene SPBio_000082 Sylvemid UNII-1806D8D52K Amitriptylin Amitryptyline 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene BBL028529 1409-EP2298313A1 BRN 2217885 1806D8D52K 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine 5-(3'-Dimethylaminopropylidene)-dibenzo-(a,d)(1,4)-cycloheptadiene DTXSID7022594 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo[a,d]10,11-dihydrocycloheptene FT-0653242 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_004829 Adepress KBioSS_002262 LS-60747 NCGC00015095-03 NCGC00015095-11 PDSP2_001548 Sarotex Spectrum3_000298 Triptilin ZINC968257 Lantron Amitriptyline (INN) AN-41559 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine BDBM50020712 1409-EP2298765A1 C06824 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine D07448 412A072 dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene Elanil 50-48-6 IDI1_000766 AB00053417-12 KBio3_001336 Amitril [ Show all ]
Inchi Key	KRMDCWKBEZIMAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
PubChem CID	2160
ChEMBL	CHEMBL629
IUPHAR	200
BindingDB	50020712
DrugBank	DB00321
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
IC50	6.048 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3.168 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	4.0 nM	PMID16712488	PDSP
Ki	18.0 nM	PMID7855217	BindingDB

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