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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	Dimebolin
Molecular formula	C21H25N3
IUPAC name	2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Molecular weight	319.452
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.5
Synonyms	AC1L52RH BDBM50305261 D09917 DTXSID20189705 Latrepirdine NCGC00182554-02 UNII-OD9237K1Z6 2,8-Dimethyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 3613-73-8 API0002380 CHEBI:92976 Dimebolin-Dihydrochloride HMS2200M23 LS-133645 Preparation 84 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)- 2,8-dimethyl-5-[2-(6-methyl-3-pyridyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole 613D738 ABP000981 BCP9000611 CTK8F9222 Dimebon J-520335 MolPort-009-019-583 SCHEMBL292354 2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole AKOS005146217 BRN 0622478 DB11725 EX-A1498 Latrepirdine (USAN/INN) NCGC00182554-04 ZINC8144259 12687-54-6 2,8-Dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole # 4CA-0460 9-(2-(2-Methyl-5-pyridyl)ethyl)-3,6-dimethyl-1,2,3,4-tetrahydro-.gamma.-carboline AS-35091 Dimeboline HMS3327A20 MLS002264475 PubChem24449 2,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)-ethyl)-1H-pyrid(4,3b)indole 2,8-Dimethyl-5-[2-(6-methyl-pyridin-3-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole AC-5146 BCPP000257 D02YSX Dimebone JNODQFNWMXFMEV-UHFFFAOYSA-N NCGC00182554-01 SMR001317776 2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-1H-pyrido[4,3-b]indole 20684-30-4 AN-5218 C21H25N3 FT-0660444 Latrepirdine [USAN:INN] OD9237K1Z6 1721AH 2,8-dimethyl-5-[2-(6-methyl-3-pyridyl)ethyl]-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole AB1008440 BCP02189 CHEMBL589390 Dimeboline; Dimebone I14-14267 MLS006013366 RL03366 2,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole 2,8-Dimethyl-5-[2-(6-methyl-pyridin-3-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole dimebolin [ Show all ]
Inchi Key	JNODQFNWMXFMEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3
PubChem CID	197033
ChEMBL	CHEMBL589390
IUPHAR	N/A
BindingDB	50305261
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	109.65 nM	PMID19945877	ChEMBL

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