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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	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Amperozide
Molecular formula	C23H29F2N3O
IUPAC name	4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide
Molecular weight	401.502
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	4-(4,4-Bis(p-fluorophenyl)butyl)-N-ethyl-1-piperazinecarboxamide Amperozida [INN-Spanish] BRD-K52397688-001-01-9 DB08927 LS-177195 UNII-0M2W3TAG39 75558-90-6 Amperozide [INN:BAN] CHEBI:92913 FG-5606 NCGC00015081-03 1-Piperazinecarboxamide, 4-(4,4-bis(p-fluorophenyl)butyl)-N-ethyl- AKOS030548015 API0008640 D0V4JO Lopac-A-6976 PDSP2_000730 C23H29F2N3O DTXSID6048416 NCGC00015081-01 ZINC4214849 AC1L2JOA Amperozidum Hogpax vet. NCGC00162051-01 4-(4,4-Bis(4-fluorphenyl)butyl)-N-ethyl-1-piperazinecarboxamid Amperozida BDBM50311786 Lopac0_000040 SCHEMBL340961 75529-73-6 (hydrochloride) Amperozide [BAN:INN] CCG-204136 FG 5606 NCGC00015081-02 0M2W3TAG39 AC1Q4NM7 Amperozidum [INN-Latin] CHEMBL1079935 L000997 PDSP1_000742 [ Show all ]
Inchi Key	NNAIYOXJNVGUOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
PubChem CID	73333
ChEMBL	CHEMBL1079935
IUPHAR	N/A
BindingDB	50311786
DrugBank	DB08927
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	130.0 nM	PMID9430133	BindingDB

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