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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

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	AKOS024458589 CCG-205216 DSSTox_RID_80744 HMS3266D15 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 BN0501 CHEMBL300555 Espiroxatrina [INN-Spanish] Lopac0_001142 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 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 Spiroxatrine [INN] Tox21_501142 BDBM50020192 CHEBI:91845 DTXSID3045198 J-001433 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 BPBio1_001395 CTK8G3191 EU-0101142 LP01142 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 AC1L1JZ3 CAS-1054-88-2 DSSTox_GSID_45198 HMS3263F05 NCGC00015908-03 NCGC00024696-03 R 5188 Spiroxatrinum Biomol-NT_000104 Espiroxatrina L001271 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 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 Spiroxatrine (R 5188) Tox21_110260_1 1054-88-2 [ 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	0.19 nM	PMID1353247	PDSP,BindingDB
Ki	1.57 nM	PMID7996470	PDSP,BindingDB
Ki	1.58489 nM	PMID7996470	IUPHAR
Ki	1.8 nM	PMID8935801	PDSP,BindingDB

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