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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	Adenosine receptor A1
Species	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL540094
Molecular formula	C24H30Cl2N4O3
IUPAC name	ethyl 1-(2-chloro-3-phenoxypropyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
Molecular weight	493.429
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	ACEGXCKZGDXWPV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29ClN4O3.ClH/c1-2-31-24(30)21-13-26-23-20(22(21)28-18-9-5-3-6-10-18)14-27-29(23)15-17(25)16-32-19-11-7-4-8-12-19;/h4,7-8,11-14,17-18H,2-3,5-6,9-10,15-16H2,1H3,(H,26,28);1H
PubChem CID	45265610
ChEMBL	CHEMBL540094
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3710.0 nM	PMID12383013	ChEMBL

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