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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.
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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	2-Chloro-N6-cyclopentyladenosine
Molecular formula	C15H20ClN5O4
IUPAC name	(2R,3R,4S,5R)-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	GTPL379 PDSP1_000831 [3H]-CCPA (2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 2-chloro-n6-cyclopentyl-adenosine AX8016054 ccpa (biochemistry) MFCD00078574 PDSP2_000818 (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 2-Chloro-N6-cyclopentyladenosine hemihydrate AC1L3XBY BRN 4888162 D01LWZ NCGC00025266-02 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 2-chloro-N(6)cyclopentyladenosine AKOS016009595 CC-10269 FT-0639402 KB-23064 PDSP1_001070 [3H]CCPA (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol 4824AB B6839 MolPort-003-940-643 PDSP2_001054 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol 2-Chloro-N6-cyclopentyladenosine, adenosine receptor agonist Adenosine, 2-chloro-N-cyclopentyl- C-21110 D0R1XY PDSP1_000305 ZINC3995998 (2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol 2-CHLORO-N-CYCLOPENTYLADENOSINE 37739-05-2 AN-17019 CCPA GTPL374 LS-15108 PDSP2_000303 (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 2-chloro-N6-cyclopentyladenosine (2-Cl-CPA) BDBM50085658 CHEMBL284969 N6-Cyclopentyl-2-chloroAdo SCHEMBL120439 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA) 2-Cl-CPA AJ-47613 C15H20ClN5O4 DB-049183 [ Show all ]
Inchi Key	XSMYYYQVWPZWIZ-IDTAVKCVSA-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)/t8-,10-,11-,14-/m1/s1
PubChem CID	123807
ChEMBL	CHEMBL284969
IUPHAR	379, 374
BindingDB	50085658
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	17.7 nM	PMID23789857	ChEMBL
EC50	18.0 nM	PMID23789857	BindingDB
Emax	74.0 %	PMID23789857	ChEMBL

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