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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	Medetomidine
Molecular formula	C13H16N2
IUPAC name	5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight	200.285
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.1
Synonyms	4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AK115836 BRD-A66563878-003-01-8 D0F2ML KS-00000GIZ Medetomidine [INN:BAN] (RS)-4-(alpha,2,3-Trimethylbenzyl)imidazol AS-35172 CHEMBL77921 DTXSID6048258 LS-177922 MolPort-006-394-853 3506AC AB01566810_01 BCP12592 CUHVIMMYOGQXCV-UHFFFAOYSA-N HY-17034 SCHEMBL26432 (+)-4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AKOS016010776 CHEBI:48552 Domitor [veterinary] (TN) L000223 Medetomidinum (rs)-4-[1-(2,3-dimethylphenyl)ethyl]-3h-imidazole 1H-Imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)- 86347-14-0 AX8137326 CS-0734 FT-0716677 Medetomidina MPV-785 4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole AC1L2A2Y BDBM50036913 D08165 IH-Imidazole, 4(1-(2,3-dimethylphenyl)ethyl)- Medetomidine (INN) W-6033 (+-)-4-(alpha,2,3-trimethylbenzyl)imidazole (S)-medetomidine; Dexmedetomidinum 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole API0008707 DoMtor L001361 Medetomidinum [Latin] 1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]- 86347-15-1 (hydrochloride) BCP06913 CTK6C1550 HMS3651H20 Medetomidina [Spanish] SC-94517 ( -)-4-(alpha,2,3-Trimethylbenzyl)imidazole [ Show all ]
Inchi Key	CUHVIMMYOGQXCV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
PubChem CID	68602
ChEMBL	CHEMBL77921
IUPHAR	N/A
BindingDB	50036913
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	199.527 nM	PMID11082457	PDSP

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