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GPCR

Name	Alpha-2A adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRA2A
Synonym	Alpha-2A adrenoceptor Alpha-2A adrenoreceptor Alpha-2AAR Alpha-2D adrenergic receptor
Disease	N/A for non-human GPCRs
Length	452
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	Q28838
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	CHEMBL4744
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Spiroxatrine
Molecular formula	C22H25N3O3
IUPAC name	8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	379.46
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	NCGC00015908-06 NCGC00261827-01 SCHEMBL1255303 SR-01000075579-1 (+/-)-8-[(2,3-Dihydro-1,4-Benzodioxin-2-yl)Methyl]-1-Phenyl-1,3,8-Triazaspiro [4,5]Decan-4-one 8-(1,4-benzodioxan-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro(4,5)-decan-4-one Biomol-NT_000104 Espiroxatrina L001271 LS-171963 NCGC00015908-09 NSC-665322 Spiroxatrine (R 5188) Tox21_110260_1 1054-88-2 8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one BRD-A72483914-001-01-1 D0MU4A GTPL53 NCGC00015908-04 NCGC00024696-04 R-5188 Spiroxatrinum [INN-Latin] 8-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one AKOS024458589 CCG-205216 DSSTox_RID_80744 HMS3266D15 NCGC00015908-07 NCI60_022532 SPIROXAMIDE SR-01000075579-3 8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one BN0501 CHEMBL300555 Espiroxatrina [INN-Spanish] Lopac0_001142 MolPort-003-983-690 NCGC00024696-02 NSC665322 Spiroxatrine [INN] Tox21_501142 8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one BRD-A72483914-001-02-9 DSSTox_CID_25198 HMS2089G17 NCGC00015908-05 NCGC00024696-05 S-103 SR-01000075579 ( inverted exclamation markA)-8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triaza-spiro[4,5]decan-4-one 8-(1,4-Benzodioxan-2-ylmethyl)-1-phenyl-1,3,8-trianaspiro(4,5)decane-4-one BDBM50020192 CHEBI:91845 DTXSID3045198 J-001433 NCGC00015908-08 NSC 665322 Tox21_110260 1,3,8-Trianaspiro(4.5)decane-4-one,8-(1,4-benzodioxan-2-ylmethyl)-1-phenyl- 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one BPBio1_001395 CTK8G3191 EU-0101142 LP01142 NCGC00015908-03 NCGC00024696-03 R 5188 Spiroxatrinum AC1L1JZ3 CAS-1054-88-2 DSSTox_GSID_45198 HMS3263F05 [ Show all ]
Inchi Key	JVGBTTIJPBFLTE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
PubChem CID	5268
ChEMBL	CHEMBL300555
IUPHAR	53
BindingDB	50020192
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	9.33 nM	PMID7908054	BindingDB
Ki	10.5 nM	PMID7965790	BindingDB
Ki	12.02 nM	PMID7908054	BindingDB

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