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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MDMA
Molecular formula	C11H15NO2
IUPAC name	1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Molecular weight	193.246
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.2
Synonyms	HSDB 6929 N-METHYL-3,4-METHYLENEDIOXYAMPHETAMINE rac-MDMA (rac-3,4-Methylenedioxymethamphetamine) 1.0 mg/ml in Methanol (+/-)-3,4-METHYLENEDIOXYMETHAMPHETAMINE 3,4-MDMA 64057-70-1 (hydrochloride) DEA No. 7405 KBio1_000962 Methylenedioxymethamphetamine NINDS_000962 UNII-KE1SEN21RM ( inverted exclamation markA)-1,3-benzodioxolyl-N-methyl-2-propanamine( inverted exclamation markA)-3,4-methylenedioxy-N-methyl-\|A-methyl-2-phenethylamineDL-3,4-methylenedioxy-N-methylamphetaminemethylenedioxymethamphetamine 3,4-methylenedioxymethamphetamine AKOS006283463 D0EX3I Ecstasy FT-0693477 LS-34696 Midomafetamine [USAN] Phenethylamine, N,alpha-dimethyl-3,4-methylenedioxy- [1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine (+-)-N-Methyl-3,4-(methylenedioxy)amphetamine 1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine CCRIS 9277 I14-2777 MDMA (unspecified) NCGC00168266-01 SCHEMBL44210 (+/-)-MDMA solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 3,4-Methylenedioxy-N,alpha-dimethyl-beta-phenylethylamine 69610-10-2 CHEMBL43048 DivK1c_000962 Ecstasy (Drug) KE1SEN21RM Midomafetamine PDSP1_001522 XTC (+-)-(3,4-Methylenedioxy)methamphetamine 1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl- 3,4-methylenedioxymethylamphetamine BDBM50010588 D0F5NJ GTPL4574 Mandy [Street Name] N,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine rac-3,4-Methylenedioxymethamphetamine (+/-)-(3,4-Methylenedioxy)methamphetamine 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine 54946-52-0 CHEBI:1391 DB01454 IDI1_000962 Methylenedioxy Methamphetamine NCGC00168266-02 SHXWCVYOXRDMCX-UHFFFAOYSA-N (RS)-3,4-(methylenedioxy)methamphetamine 3,4-Methylenedioxy-N-methylamphetamine (MDMA) AC1L1BUR CTK5D0599 DL-(3,4-Methylenedioxy)methamphetamine Epitope ID:178091 LS-34695 Midomafetamine (USAN/INN) PDSP2_001506 XTC [Street Name] (+-)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-aminopropane 1,3-Benzodioxole-5-ethanamine,N,a-dimethyl- 42542-10-9 C07577 D11172 [ Show all ]
Inchi Key	SHXWCVYOXRDMCX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
PubChem CID	1615
ChEMBL	CHEMBL43048
IUPHAR	N/A
BindingDB	50010588
DrugBank	DB01454
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID12761331, http://pdsp.med.unc.edu/pdsp.php, http://molpharm.aspetjournals.org/cgi/content/full/63/6/1223	PDSP,BindingDB

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