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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL322
IUPHAR	6
DrugBank	N/A

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	ARONIS24381 MRF-0000533 1409-EP2269989A1 BPBio1_000317 NCGC00015095-07 1409-EP2305669A1 CCG-204207 NINDS_000766 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine Damilan Prestwick3_000074 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 Seroten 5-(3-dimethylaminopropylidene)dibenzo[a,d][1,4]-cycloheptadiene Elavil (TN) STK525215 549-18-8 (hydrochloride) KBio2_000424 Tryptomer, Triplent(Talent India) AB00053417_14 KBioGR_000592 Amitriptilina Amitriptylinum Laroxyl (TN) 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl- BBL028529 NCGC00015095-02 1409-EP2298313A1 BRN 2217885 NCGC00015095-10 1806D8D52K PDSP1_001564 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine Ro 4-1575 5-(3'-Dimethylaminopropylidene)-dibenzo-(a,d)(1,4)-cycloheptadiene DTXSID7022594 Spectrum2_000101 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo[a,d]10,11-dihydrocycloheptene FT-0653242 Triptanol 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_004829 W-109252 Adepress KBioSS_002262 Amitriptylin Amitryptyline Lopac0_000112 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine BDBM50020712 NCGC00015095-05 1409-EP2298765A1 C06824 NCGC00024433-04 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine D07448 Prestwick1_000074 412A072 dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine SBI-0050100.P004 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene Elanil Spectrum5_000806 50-48-6 IDI1_000766 Triptizol (Salt/Mix) AB00053417-12 KBio3_001336 [3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine Amitril Lantron Amitriptyline (INN) Laroxyl AN-41559 MK 230 BAS 00269727 N 750 1409-EP2275420A1 BRD-K53737926-003-05-4 NCGC00015095-08 1409-EP2314585A1 CCRIS 9174 NSC169910 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine Damilen Proheptadiene 5-(.gamma.-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene DivK1c_000766 SPBio_000082 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene Endep Sylvemid 5H-Dibenzo(a,d)cycloheptene-.delta.(sup 5),.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_002261 UNII-1806D8D52K AB00514631 KBioGR_002261 Amitriptilina [INN-Spanish] Amitriptylinum [INN-Latin] Lentizol (Salt/Mix) 10,11-Dihydro-5-(.gamma.-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene 10,11-dihydro-N,N-dimethl-5H-dibenzo[a,d]cycloheptene-(delta(5, gamma))-propylamine BC203219 NCGC00015095-03 1409-EP2298731A1 BSPBio_000287 NCGC00015095-11 CHEMBL629 PDSP2_001548 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine DB00321 Sarotex 5-(3'-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene EC 200-041-6 Spectrum3_000298 5-(gamma-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene GTPL200 Triptilin 5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_005560 ZINC968257 Adepril KRMDCWKBEZIMAB-UHFFFAOYSA-N Amitriptylin [German] Amytriptiline LS-60747 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(sup 5),gamma-propylamine BIDD:GT0115 NCGC00015095-06 1409-EP2305652A2 CAS-549-18-8 NCGC00183047-01 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine, hydrochloride D0Y5UG Prestwick2_000074 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 SCHEMBL7824 5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene Elavil Spectrum_000044 KBio1_000766 Tryptanol AB00053417_13 KBio3_002741 Amitriprolidine Laroxil Amitriptyline [INN:BAN] Laroxyl (Salt/Mix) 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl- API0001457 MolPort-001-662-651 BBC/541 NCGC00015095-01 1409-EP2277861A1 BRD-K53737926-003-14-6 NCGC00015095-09 17086-03-2 (pamoate (2:1)) CHEBI:2666 Oprea1_479304 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine Damitriptyline Redomex 5-(.gamma.-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene Domical (Salt/Mix) SPBio_002208 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene Flavyl TP0 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl- KBio2_002992 Vanatrip (Salt/Mix) AC1L1D20 KBioSS_000424 Amitriptilina [Italian] Amitryptiline Lopac-A-8404 10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-.DELTA.5,.gamma.-propylamine BCP09083 NCGC00015095-04 1409-EP2298764A1 BSPBio_001836 NCGC00015095-12 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin cMAP_000001 Prestwick0_000074 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 SBB080793 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene EINECS 200-041-6 Spectrum4_000146 5-(gamma-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene HSDB 3007 Triptisol 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 ZX-AS004743 AKOS000512694 L001041 (3-(5,6-dihydrodibenzo[b,f][7]annulen-11-ylidene)propyl)dimethylamine Amytriptylin MCULE-3537115467 [ 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
Ki	3.98107 nM	PMID8876023	IUPHAR
Ki	4.3 nM	PMID8876023	BindingDB
Ki	5.3 nM	PMID9400006	BindingDB
Ki	11.0 nM	PMID10379421	BindingDB,IUPHAR

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