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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	Nortopsentin A
Molecular formula	C19H12Br2N4
IUPAC name	6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
Molecular weight	456.141
Hydrogen bond acceptor	1
Hydrogen bond donor	3
XlogP	5.0
Synonyms	6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-4-yl]-1H-indole DTXSID50158464 AC1L44WZ SCHEMBL8616377 3,3'-Imidazole-2,4-diylbis(6-bromoindole) 6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole 134029-43-9 BDBM50287723 CHEMBL302637 6-bromo-3-[4-(6-bromo-1H-3-indolyl)-1H-2-imidazolyl]-1H-indole SCHEMBL17243838 1H-Indole, 3,3'-(1H-imidazole-2,4-diyl)bis(6-bromo- BIGUXWQKCPFOAH-UHFFFAOYSA-N [ Show all ]
Inchi Key	BIGUXWQKCPFOAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)
PubChem CID	179268
ChEMBL	CHEMBL302637
IUPHAR	N/A
BindingDB	50287723
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2140.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:17:2103,	BindingDB,ChEMBL

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