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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.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Bos taurus (Bovine)
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	MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProt	P18130
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	CHEMBL4892
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL52485
Molecular formula	C24H36N2O4
IUPAC name	1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4,4-dimethylpiperidine-2,6-dione
Molecular weight	416.562
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM50036849 SCHEMBL9306008 5-Methoxy-3-{N-propyl-N[4-(4,4-dimethyl-2,6-dioxo-1-piperidyl)butyl]amino}chroman KZRCUUSRYFALEA-UHFFFAOYSA-N 1-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]butyl]-4,4-dimethylpiperidine-2,6-dione CHEMBL26975 LS-115210 1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-4,4-dimethyl-piperidine-2,6-dione; compound with oxalic acid [ Show all ]
Inchi Key	KZRCUUSRYFALEA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3
PubChem CID	10024943
ChEMBL	CHEMBL26975
IUPHAR	N/A
BindingDB	50036849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6000.0 nM	PMID7912735	BindingDB

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