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GLASS

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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	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	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 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 KBio2_003489 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride LS-60421 58-28-6 (hydrochloride) NCGC00015340-03 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 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 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 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine # Lopac-D-3900 5-(gamma-Methylaminopropyl)iminodibenzyl NCGC00015340-01 6943AB NCGC00015340-09 AN-41558 Norpramine BSPBio_002137 Prestwick2_000343 D01UTL SPBio_002326 Desipramina TG537D343B Desmethylimipramine EX-4355 KBio1_000190 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)- 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 KBioSS_000921 Monodemethylimipramine 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 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE Lopac0_000358 50-47-5 NCGC00015340-02 AB00053450 NCGC00015340-10 API0009063 Pentofran C06943 Prestwick3_000343 D07791 Spectrum2_000091 Desipramina [INN-Spanish] Treyzafagit Dezipramine GTPL2399 KBio2_000921 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- NCGC00015340-05 AC1L1EXQ NCGC00024375-04 BPBio1_000447 Pertofrane (TN) CCRIS 7091 SBI-0050346.P004 Demethylimipramine Spectrum5_000833 Desipramine (INN) ZINC1530611 DMI (pharmaceutical) HSDB 3052 [ 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
IC50	0.25 nM	PMID10447960	BindingDB,ChEMBL
IC50	130.0 nM	PMID1976813	BindingDB,ChEMBL
Ki	300.0 nM	PMID3790168	BindingDB

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