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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	nortriptyline
Molecular formula	C19H21N
IUPAC name	N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Molecular weight	263.384
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.5
Synonyms	PDSP2_001788 Psychostyl (Salt/Mix) Sesaval Spectrum_001041 5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin AB00052061_16 NCGC00014483-08 AN-22230 NCGC00024261-06 AVENTYL HCL Noritren BSPBio_000068 Nortriptylin hydrochloride CHEMBL445 Nortryptyline Desitriptilina Pamelor (TN) GTPL2404 (2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine KBio2_004089 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine Lopac-N-7261 Prestwick0_000254 SCHEMBL34527 SPECTRUM1500442 US8629135, SW-02 Lumbeck 5-[3-(Methylamino)propylidene]dibenzo[a,E]cyclohepta[1,5]diene NCGC00014483-03 AKOS022507396 NCGC00014483-11 Ateben hydrochloride NCIOpen2_004361 BIDD:PXR0187 Nortrilen CAS-894-71-3 Nortriptyline (INN) NSC-757234 Desmethylamitriptyline HMS500H13 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl- KBioGR_000870 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine Prestwick3_000254 Sensival Ventyl Spectrum4_000455 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine 72-69-5 NCGC00014483-06 Altilev NCGC00024261-04 Aventyl (TN) NINDS_000151 BRD-K91263825-003-03-2 Nortriptilina [DCIT] CHEBI:7640 Nortriptylinum [INN-Latin] Demethylamitriptyline NSC78248 EINECS 200-788-8 KBio1_000151 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-.DELTA.,.gamma.-propylamine KUC112478N Pharmakon1600-01500442 QTL1_000063 SPBio_001093 SR-01000000223-4 Lopac0_000868 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene NCGC00014483 AC1L1IED NCGC00014483-09 API0003635 NCI169453 Aventyl hydrochloride Norpress (TN) BSPBio_002111 nortriptylina D04WFD Norzepine Desitriptyline Pamelor hydrochloride HMS1920B20 KBio2_006657 Prestwick1_000254 Sensaval Spectrum2_000997 Vividyl methyl({3-[(2E)-tricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl- NCGC00014483-04 Allegron NCGC00014483-12 Avantyl NCIStruc1_000856 BL03SY4LXB Nortrilen (TN) CCG-38266 Nortriptyline [INN:BAN] DB00540 NSC169453 DivK1c_000151 HSDB 3371 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene KBioSS_001521 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine Psychostyl Sensoval (TN) Spectrum5_001377 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N-methyl-propan-1-amine MRF-0000480 AB00052061 NCGC00014483-07 Amitryptyline, demethyl- NCGC00024261-05 Aventyl allegron Noramitriptyline BRN 2216786 Nortriptylene hydrochloride Nortryptiline Demethylamitryptyline Pamelor EN300-57709 KBio2_001521 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine Lilly 38489 PHVGLTMQBUFIQQ-UHFFFAOYSA-N SBI-0050843.P004 SPBio_002287 UNII-BL03SY4LXB LS-60753 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene NCGC00014483-02 Acetexa NCGC00014483-10 Ateben NCI60_001354 BDBM112777 Nortab hydrochloride C07274 D08288 NSC-169453 Desmethylamitriptylin PDSP1_001805 HMS2091J20 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl- KBio3_001611 21B Prestwick2_000254 Sensival Spectrum3_000526 ZINC1530741 methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, 10,11-dihydro-N-methyl- NCGC00014483-05 Allegron (TN) NCGC00024261-03 Aventyl NCIStruc2_000700 BPBio1_000076 Nortriptilina CCRIS 9175 Nortriptylinum Demethylamitriptylene NSC757234 DTXSID9023384 IDI1_000151 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene KSC-315-028- 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine [ Show all ]
Inchi Key	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
PubChem CID	4543
ChEMBL	CHEMBL445
IUPHAR	N/A
BindingDB	112777
DrugBank	DB00540
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.04 nM	PMID10447960	BindingDB,ChEMBL
IC50	305.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	123.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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