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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	CHEMBL305928
Molecular formula	C10H18N2O
IUPAC name	N-cycloheptyl-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight	182.267
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.0
Synonyms	BDBM50212993 ZINC1623683 CTK5J7123 NSC-162259 N-(2-Oxazolin-2-yl)cycloheptanamine AC1L6LIS NSC162259 N-cycloheptyl-4,5-dihydro-1,3-oxazol-2-amine [ Show all ]
Inchi Key	DAIRUBYTBODIKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H18N2O/c1-2-4-6-9(5-3-1)12-10-11-7-8-13-10/h9H,1-8H2,(H,11,12)
PubChem CID	294234
ChEMBL	CHEMBL305928
IUPHAR	N/A
BindingDB	50212993
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	1995.0 nM	N/A	BindingDB
Ki	1995.26 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	3801.89 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	3802.0 nM	N/A	BindingDB

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