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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	desipramine
Molecular formula	C18H22N2
IUPAC name	3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Molecular weight	266.388
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	6943AB NCGC00015340-09 AN-41558 Norpramine BSPBio_002137 Prestwick2_000343 D01UTL SPBio_002326 Desipramina TG537D343B Desmethylimipramine EX-4355 KBio1_000190 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine # Lopac-D-3900 5-(gamma-Methylaminopropyl)iminodibenzyl NCGC00015340-01 NCGC00015340-04 AC-15977 NCGC00015340-13 BDBM35229 Pertofrane (Salt/Mix) CCG-118231 SBB002569 DB01151 Spectrum4_000314 Desipramine (D4) ZERO/006017 DivK1c_000190 HMS3430H03 (3-{2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine KBio2_006057 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl);-N-methylpropan-1-amine MCULE-5904286906 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)- 5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]- NCGC00015340-07 AKOS001681456 Norimipramine BRN 1432747 Prestwick0_000343 Sertofran Desimpramine ST052019 desipraminum [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine DTXSID6022896 Imipramine, demethyl- 10, 11-Dihydro-N-methyl-5H-dibez[b,f]azepine-5-propanamine KBioSS_000921 Monodemethylimipramine NCGC00015340-02 AB00053450 NCGC00015340-10 API0009063 Pentofran C06943 Prestwick3_000343 D07791 Spectrum2_000091 Desipramina [INN-Spanish] Treyzafagit Dezipramine GTPL2399 KBio2_000921 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE Lopac0_000358 50-47-5 NCGC00015340-05 AC1L1EXQ NCGC00024375-04 BPBio1_000447 Pertofrane (TN) CCRIS 7091 SBI-0050346.P004 Demethylimipramine Spectrum5_000833 Desipramine (INN) ZINC1530611 DMI (pharmaceutical) HSDB 3052 KBio3_001357 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine Methylaminopropyliminodibenzyl 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N-methyl- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl- NCGC00015340-08 ALBB-025959 Norpramin (TN) BSPBio_000405 Prestwick1_000343 CHEMBL72 SPBio_000042 Desipramin STK735144 Desipraminum [INN-Latin] [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine hydrochloride EINECS 200-040-0 KB-232393 10,11-Dihydro-5-(3-methylaminopropyl)-5H-dibenz(b,f)azepine L001089 5-(3-methylaminopropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine N-(3-Methylaminopropyl)iminobibenzyl NCGC00015340-03 AB00053450_14 NCGC00015340-11 AX8123821 Pertofran (Salt/Mix) CAS-58-28-6 R1868 Spectrum3_000379 UNII-TG537D343B Dimethylimipramine HCYAFALTSJYZDH-UHFFFAOYSA-N (3-(10H,11H-Dibenzo[b,f]azepin-5-yl)propyl)methylamine KBio2_003489 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride LS-60421 58-28-6 (hydrochloride) NCGC00015340-06 AJ-26669 NINDS_000190 BRD-K60762818-003-15-3 Pertrofane CHEBI:47781 SCHEMBL34384 Desimipramine Spectrum_000441 Desipramine [INN:BAN] ZX-AN024471 DMI 50475 IDI1_000190 050D475 KBioGR_000928 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine MolPort-002-051-955 5H-Dibenzo[b, f]azepine, N-(3-methylaminopropyl)-, 10,11-Dihydro [ Show all ]
Inchi Key	HCYAFALTSJYZDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
PubChem CID	2995
ChEMBL	CHEMBL72
IUPHAR	N/A
BindingDB	35229
DrugBank	DB01151
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	23.0 nM	PMID17850785, PMID9400006	PDSP,BindingDB
Ki	100.0 nM	PMID7855217	BindingDB

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