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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	1409-EP2275420A1 BRD-K53737926-003-05-4 SPBio_000082 1409-EP2314585A1 CCRIS 9174 Sylvemid 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine Damilen UNII-1806D8D52K 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- Lentizol (Salt/Mix) KBio2_002261 AB00514631 N 750 KBioGR_002261 Amitriptilina [INN-Spanish] NCGC00015095-08 Amitriptylinum [INN-Latin] NSC169910 10,11-Dihydro-5-(.gamma.-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene BAS 00269727 Proheptadiene BC203219 Sarotex 1409-EP2298731A1 BSPBio_000287 Spectrum3_000298 CHEMBL629 Triptilin 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine DB00321 ZINC968257 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- LS-60747 KBio2_005560 Adepril NCGC00015095-03 KRMDCWKBEZIMAB-UHFFFAOYSA-N Amitriptylin [German] NCGC00015095-11 Amytriptiline PDSP2_001548 10,11-dihydro-N,N-dimethl-5H-dibenzo[a,d]cycloheptene-(delta(5, gamma))-propylamine BIDD:GT0115 SCHEMBL7824 1409-EP2305652A2 CAS-549-18-8 Spectrum_000044 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine, hydrochloride D0Y5UG Tryptanol 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 Laroxyl (Salt/Mix) KBio1_000766 AB00053417_13 MolPort-001-662-651 KBio3_002741 Amitriprolidine NCGC00015095-06 Laroxil Amitriptyline [INN:BAN] NCGC00183047-01 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl- API0001457 Prestwick2_000074 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(sup 5),gamma-propylamine Redomex 1409-EP2277861A1 BRD-K53737926-003-14-6 SPBio_002208 17086-03-2 (pamoate (2:1)) CHEBI:2666 TP0 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine Damitriptyline Vanatrip (Salt/Mix) 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- Lopac-A-8404 KBio2_002992 AC1L1D20 NCGC00015095-01 KBioSS_000424 Amitriptilina [Italian] NCGC00015095-09 Amitryptiline Oprea1_479304 10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene BBC/541 BCP09083 SBB080793 1409-EP2298764A1 BSPBio_001836 Spectrum4_000146 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin cMAP_000001 Triptisol 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 ZX-AS004743 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 MCULE-3537115467 KBio2_007397 AKOS000512694 NCGC00015095-04 L001041 NCGC00015095-12 (3-(5,6-dihydrodibenzo[b,f][7]annulen-11-ylidene)propyl)dimethylamine Amytriptylin Prestwick0_000074 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-.DELTA.5,.gamma.-propylamine 1409-EP2269989A1 BPBio1_000317 Seroten 1409-EP2305669A1 CCG-204207 STK525215 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine Damilan Tryptomer, Triplent(Talent India) 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) Laroxyl (TN) KBio2_000424 AB00053417_14 MRF-0000533 KBioGR_000592 Amitriptilina NCGC00015095-07 Amitriptylinum NINDS_000766 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl- ARONIS24381 Prestwick3_000074 Ro 4-1575 1409-EP2298313A1 BRN 2217885 Spectrum2_000101 1806D8D52K Triptanol 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine W-109252 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- Lopac0_000112 KBio2_004829 Adepress NCGC00015095-02 KBioSS_002262 Amitriptylin NCGC00015095-10 Amitryptyline PDSP1_001564 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene BBL028529 BDBM50020712 SBI-0050100.P004 1409-EP2298765A1 C06824 Spectrum5_000806 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine D07448 Triptizol (Salt/Mix) 412A072 dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine [3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene Elanil 50-48-6 Laroxyl IDI1_000766 AB00053417-12 MK 230 KBio3_001336 Amitril NCGC00015095-05 Lantron Amitriptyline (INN) NCGC00024433-04 AN-41559 Prestwick1_000074 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine [ 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
Ki	450.0 nM	PMID7855217	PDSP,BindingDB

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