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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	CHEMBL60510
Molecular formula	C25H29N3O3
IUPAC name	3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6,7-dimethyl-1H-quinazoline-2,4-dione
Molecular weight	419.525
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-6,7-dimethyl-1H-quinazoline-2,4-dione BDBM50100218 6,7-Dimethyl-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Inchi Key	CLIPGTAXZKATAJ-LAUBAEHRSA-N
Inchi ID	InChI=1S/C25H29N3O3/c1-15-11-20-22(12-16(15)2)26-25(30)28(24(20)29)10-9-27-13-17-7-8-19-18(21(17)14-27)5-4-6-23(19)31-3/h4-6,11-12,17,21H,7-10,13-14H2,1-3H3,(H,26,30)/t17-,21+/m0/s1
PubChem CID	10606657
ChEMBL	CHEMBL60510
IUPHAR	N/A
BindingDB	50100218
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	1.38 nM	PMID11384242	BindingDB,ChEMBL

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