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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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	AC1L1BPF
Molecular formula	C15H20ClN5O4
IUPAC name	2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	369.806
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.8
Synonyms	2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol SCHEMBL2492838 BDBM50008415 2-CHLORO-N6-CYCLO-PENTYLADENOSINE HMS3268A08 BRD-A16827030-001-01-7 2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol L000165 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol CHEBI:111161 [ Show all ]
Inchi Key	XSMYYYQVWPZWIZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)
PubChem CID	1547
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50008415
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	0.15 nM	PMID2067592	BindingDB
Ki	0.59 nM	PMID2067592	BindingDB
Ki	4.0 nM	PMID2067592	BindingDB
Ki	39.7 nM	PMID2067592	BindingDB

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