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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

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	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 LS-171963 NCGC00015908-09 NSC-665322 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 NCGC00015908-04 NCGC00024696-04 R-5188 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 NCGC00015908-07 NCI60_022532 SPIROXAMIDE 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 MolPort-003-983-690 NCGC00024696-02 NSC665322 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 NCGC00015908-05 NCGC00024696-05 S-103 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 NCGC00015908-08 NSC 665322 Spiroxatrinum AC1L1JZ3 CAS-1054-88-2 DSSTox_GSID_45198 HMS3263F05 NCGC00015908-03 NCGC00024696-03 R 5188 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 NCGC00015908-06 NCGC00261827-01 SCHEMBL1255303 [ 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	0.13 nM	PMID1353247	PDSP,BindingDB
Ki	0.4 nM	PMID8935801	PDSP,BindingDB
Ki	1.0 nM	PMID7996470	IUPHAR
Ki	1.04 nM	PMID7996470	PDSP,BindingDB

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