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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	tetrahydropalmatine
Molecular formula	C21H25NO4
IUPAC name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular weight	355.434
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	(S)-2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline ZINC19535049 3X69CO5I79 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)- AEQDJSLRWYMAQI-KRWDZBQOSA-N Berbine, 2,3,9,10-tetramethoxy- (8CI) CTK8G0672 HMS3656M19 Levo-thp (TN) NSC36363 (-)-Tetrahydropalmatine SCHEMBL230850 Tetrahydropalmatine (6CI) (S)-Tetrahydropalmatine 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine 84-38-8 AN-8428 CHEBI:16563 DB12093 Hyndarine MolPort-000-881-202 (+-)-tetrahydropalmatine Q-100371 (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline (S)-(-)-tetrahydropalmatine UNII-78F8583LNQ component AEQDJSLRWYMAQI-KRWDZBQOSA-N 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy- AC1L2HTA BDBM50424077 corydalis B gindarin KB-211027 N1727 (-)-Corydalis B s2437 SW219613-1 (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine 483-14-7 6h-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-,(13as)- AJ-73939 C02890 D01FFA HY-N0096 LS-61253 O,O-Dimethyl-N-demethyl-cyclanoline (-)-Tetrahydropalmatine, >=98% (HPLC) tetrahydropalmitine 13a-alpha-Berbine, 2,3,9,10-tetramethoxy- 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine AC-16039 AS-17459 EBD2156704 I07-0251 N-Demethyl-O,O'-dimethylcyclanoline (-)-2,3,9,10-Tetramethoxyberbine Rotundine (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline (S)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline V0216 2506-20-9 (hydrochloride) 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)- AC1Q569Q Berbine, 2,3,9,10-tetramethoxy- CS-8092 Gindarine l-Tetrahydropalmatine NCGC00346591-01 (-)-S-Tetrahydropalmatine SC-96279 (S)-isomer of tetrahydropalmatine 483T147 6H-Dibenzo[a,g]quinolizine,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)- AKOS000277105 Caseanine Hyndarin LS-61256 Q-100022 (13aS)-2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine (13aS)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine UNII-3X69CO5I79 2,3,9,10-tetramethoxy-13aalpha-berbine AC-8007 AX8039153 CHEMBL487182 FT-0674470 InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s N-Demethyl-O,O'-dimethylsteponine (-)-Corydalis Rotundium [ Show all ]
Inchi Key	AEQDJSLRWYMAQI-KRWDZBQOSA-N
Inchi ID	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
PubChem CID	72301
ChEMBL	CHEMBL487182
IUPHAR	N/A
BindingDB	50424077
DrugBank	DB12093
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	41.2 %	PMID27709945	ChEMBL

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