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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	Azapetine
Molecular formula	C17H17N
IUPAC name	6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
Molecular weight	235.33
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.6
Synonyms	SR-01000945198 1-Allyl-2,7-dihydro-3,4:5,6-dibenzazepine 6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina Azapetine (BAN) D07178 MLS006011552 UNII-9TTR0UA2KC 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl- 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine AC1L1S17 BRN 0194617 Ilidar (Salt/Mix) NYGHGTMKALXFIA-UHFFFAOYSA-N 5H-Dibenz[c,e]azepine, 6-allyl-6,7-dihydro- 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine Azapetina [Italian] CHEMBL2110596 LS-60352 SCHEMBL456796 SR-01000945198-1 130-83-6 (phosphate[1:1]) 6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina [Italian] 9-(prop-2-en-1-yl)-9-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaene Azapetine [BAN] DTXSID50163250 MolPort-006-111-060 Z1015206996 5H-DIBENZ(c,e)AZEPINE, 6-ALLYL-6,7-DIHYDRO- 6-Allyl-6,7-dihydro-5H-dibenzo[c,e]azepine # AKOS027381702 CAS_130-83-6 Ilidar Base PDSP1_001659 5H-Dibenz[c,e]azepine,6,7-dihydro-6-(2-propen-1-yl)- 65-15-6 (hydrochloride) CTK4C4932 MCULE-7577485718 SMR004703318 SR-01000945198-2 146-36-1 6-allyl-6,7-dihydro-5H-benzo[d][2]benzazepine 9TTR0UA2KC BDBM81805 EINECS 205-667-3 NSC_8966 ZINC1481977 5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)- 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine Azapetina CHEBI:134955 L000884 PDSP2_001643 [ Show all ]
Inchi Key	NYGHGTMKALXFIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
PubChem CID	8966
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81805
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	38.0 nM	PMID1656026	BindingDB

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