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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	Mus musculus (Mouse)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
UniProt	Q60612
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	CHEMBL3688
IUPHAR	18
DrugBank	N/A

Ligand

Name	CHEMBL2401954
Molecular formula	C28H25ClN6O6S
IUPAC name	4-[2-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]ethynyl]benzenesulfonic acid
Molecular weight	609.054
Hydrogen bond acceptor	10
Hydrogen bond donor	5
XlogP	1.8
Synonyms	BDBM50437188
Inchi Key	VCBOOPKKNOXUFP-WANRRHMFSA-N
Inchi ID	InChI=1S/C28H25ClN6O6S/c1-30-27(38)28-12-19(28)22(23(36)24(28)37)35-14-32-21-25(31-13-16-3-2-4-17(29)11-16)33-20(34-26(21)35)10-7-15-5-8-18(9-6-15)42(39,40)41/h2-6,8-9,11,14,19,22-24,36-37H,12-13H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t19-,22-,23+,24+,28+/m1/s1
PubChem CID	57524978
ChEMBL	CHEMBL2401954
IUPHAR	N/A
BindingDB	50437188
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	495.0 nM	PMID23789857	BindingDB,ChEMBL
Emax	-49.0 %	PMID23789857	ChEMBL
Emax	36.0 %	PMID23789857	ChEMBL
Ki	35.0 nM	PMID23789857	BindingDB
Ki	35.1 nM	PMID23789857	ChEMBL

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