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GLASS

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GPCR

Name	Alpha-1D adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1D
Synonym	alpha1a/d-adrenoceptor adrenergic receptor delta1 Gpcr8 Adrd1 ADRA1R ADRA1A ADRA1 Adra-1 alpha 1D-adrenoceptor alpha 1D-adrenoreceptor alpha1D-adrenoceptor alpha1A/D alpha1A-adrenoceptor Alpha-adrenergic receptor 1a Alpha-1D adrenoreceptor Alpha-1D adrenoceptor Alpha-1A adrenergic receptor alpha1D-AR [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Congestive heart failure Diabetes Erectile dysfunction Fecal incontinence Glaucoma Hypertension Pediatric cancer Peripheral vascular disease Prostate disease Prostate hyperplasia [ Show all ]
Length	572
Amino acid sequence	MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
UniProt	P25100
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T53381
ChEMBL	CHEMBL223
IUPHAR	24
DrugBank	BE0004863, BE0000715

Ligand

Name	3-MPPI
Molecular formula	C23H25N5O3
IUPAC name	3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Molecular weight	419.485
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.7
Synonyms	ZINC29486259 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Biomol-NT_000127 J-006367 NCGC00024664-02 BRD-K62581435-001-02-0 SR-01000597636-1 3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione B6361 CHEMBL301707 MolPort-023-275-899 3-[2-[4-(2-Methoxyphenyl)piperazino]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione BPBio1_000310 NCGC00024664-03 133399-65-2 AC1N1ZOQ CHEBI:114191 Tocris-0581 BDBM50006952 HMS3266M22 NCGC00024664-01 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione BRD-K62581435-001-01-2 SR-01000597636 2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione AKOS024458570 [ Show all ]
Inchi Key	AQASGOHUMGAWJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
PubChem CID	4013695
ChEMBL	CHEMBL301707
IUPHAR	N/A
BindingDB	50006952
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	0.363 nM	PMID21514979	BindingDB
Ki	0.3631 nM	PMID21514979, PMID17027264	ChEMBL
Ki	2.75423e+18 nM	PMID12825930	ChEMBL

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