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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNIPKAILLGVILGVLILFGVPGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMSLCIISIDRYIGVSYPLRYPTIVTQRRGLRALLCLWALSLVISIGPLFGWRQPAPQDETICQINEDPSYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLTSGLKTDKSDSEQVTLRIHRKNAPLGGSGVASSKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProt	Q9WU25
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	CHEMBL2150843
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	5-Methylurapidil
Molecular formula	C21H31N5O3
IUPAC name	6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione
Molecular weight	401.511
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.9
Synonyms	Urapidil, 5-Methyl- 2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3,5-trimethyl- BDBM50033112 GTPL489 Lopac0_001275 NCGC00016067-04 SCHEMBL6375436 5 Methylurapidil 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione HMS3373B21 MFCD00078602 NCGC00094511-02 SR-01000075287-1 1HLS600135 5-Methyl-urapidil AC1Q6CC3 D0V6DJ L000080 NCGC00016067-02 PDSP1_001618 UNII-1HLS600135 ZINC2012436 34661-85-3 6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl-2,4(1H,3H)-pyrimidinedione C21H31N5O3 HMS2232C19 LP01275 NCGC00016067-05 SMR000326902 5-Methyl-6[[3-[4-(2-methoxyphenyl)-1-piperazinyl]-propyl]-amino]-1,3-dimethyluracil 6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propylamino}-1,3,5-trimethyl-1H-pyrimidine-2,4-dione CHEMBL420060 J-001436 MLS000860044 NCGC00094511-03 Tox21_501275 URAPIDIL 5-METHYL- 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl- ACM34661853 EU-0101275 Lopac-U-101 NCGC00016067-03 PDSP2_001602 6-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3,5-trimethylpyrimidine-2,4(1h,3h)-dione CCG-205348 HMS3263P12 LS-174487 NCGC00094511-01 SR-01000075287 5-Methyl-6[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil AC1L1KSW CTK4H2779 J-019692 NCGC00016067-01 NCGC00261960-01 U-101 [ Show all ]
Inchi Key	HIHZDNKKIUQQSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
PubChem CID	5640
ChEMBL	CHEMBL420060
IUPHAR	489
BindingDB	50033112
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	0.79 nM	PMID9653897	BindingDB
Ki	1.0 nM	PMID9653897	BindingDB
Ki	31.62 nM	PMID9653897	BindingDB

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