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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	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	CHEMBL296395
Molecular formula	C22H24N2O4
IUPAC name	2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]isoindole-1,3-dione
Molecular weight	380.444
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	FVFQQWRAUZNCPU-UHFFFAOYSA-N 3-[N-(4-PHTHALIMIDOBUTYL)AMINO]-5-METHOXYCHROMAN CHEMBL1183429 2-[4-(5-Methoxy-chroman-3-ylamino)-butyl]-isoindole-1,3-dione; compound with oxalic acid LS-84561 2-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]amino]butyl]-1H-isoindole-1,3(2H)-dione SCHEMBL9304905 BDBM50036867 [ Show all ]
Inchi Key	FVFQQWRAUZNCPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
PubChem CID	10429859
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50036867
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	1000000.0 nM	PMID7912735	BindingDB

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