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GLASS

You can:

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	CHEMBL51888
Molecular formula	C22H30N2O4S
IUPAC name	N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]-4-methylbenzenesulfonamide
Molecular weight	418.552
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	L005752 BDBM50036863 5-METHOXY-3-{N-PROPYL-N-[2-(4-TOLUENESUlFONYLAMINO)ETHYL]AMINO}CHROMAN N-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl}-4-methyl-benzenesulfonamide; compound with oxalic acid DKIWOYFHZPJYPI-UHFFFAOYSA-N SCHEMBL9304468 CHEMBL280608 [ Show all ]
Inchi Key	DKIWOYFHZPJYPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N2O4S/c1-4-13-24(14-12-23-29(25,26)19-10-8-17(2)9-11-19)18-15-20-21(27-3)6-5-7-22(20)28-16-18/h5-11,18,23H,4,12-16H2,1-3H3
PubChem CID	10364722
ChEMBL	CHEMBL280608
IUPHAR	N/A
BindingDB	50036863
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	100000.0 nM	PMID7912735	BindingDB
IC50	1000000.0 nM	PMID7912735	BindingDB

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