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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.
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 A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	7-(3-Chloropropyl)theophylline
Molecular formula	C10H13ClN4O2
IUPAC name	7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	256.69
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.4
Synonyms	1H-Purine-2,6-dione,7-(3-chloropropyl)-3,7-dihydro-1,3-dimethyl- 7-(3-chloropropyl)-1,3-dimethylxanthine AC1Q6LEM LS-126662 Theophylline, 7-(3-chloropropyl)- (Chloro-3 propyl)-7 theophylline [French] 7-(3-chloropropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione A15451 DTXSID90182066 2770-66-3 7-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ACM2770663 MORVOYPJRATMRS-UHFFFAOYSA-N 7-(3-chloro-propan-1-yl)-theophylline 7-(chloropropyl)-theophylline CHEMBL67323 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-chloropropyl)-1,3-dimethyl- 7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione AC1L2Q01 EINECS 220-462-9 3,7-Dihydro-7-(3-chloropropyl)-1,3-dimethyl-1H-purine-2,6-dione 7-(3-Chloropropyl)-theophylline BDBM50113244 SCHEMBL10654215 (Chloro-3 propyl)-7 theophylline 7-(3-Chloro-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 7-(gamma-Chloropropyl)theophylline CTK4G0167 [ Show all ]
Inchi Key	MORVOYPJRATMRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
PubChem CID	76011
ChEMBL	CHEMBL67323
IUPHAR	N/A
BindingDB	50113244
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Displacement	>10.0 %	PMID12014951	ChEMBL

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