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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	Cavia porcellus (Guinea pig)
Gene	ADORA2A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	409
Amino acid sequence	MSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS
UniProt	P46616
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	CHEMBL2605
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	PACPX
Molecular formula	C17H20ClN5O2
IUPAC name	8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	361.83
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	8-(2-amino-4-chlorophenyl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione BDBM82013 LS-177895 SCHEMBL4650748 PAPCX 1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl AC1Q3SH2 DTXSID90235182 PDSP2_000977 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione C17H20ClN5O2 NSC_92411 SENJBFBVCXOUFE-UHFFFAOYSA-N 85872-51-1 CHEMBL273671 PDSP1_000993 8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione(PACPX) B-256 ET7OKC2MCY PDSP2_001120 8-(2-Amino-4-chlorophenyl)-1,3-dipropylxanthine CAS_92411 UNII-ET7OKC2MCY 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine AC1L3O2G CTK5F5876 PDSP1_001136 [ Show all ]
Inchi Key	SENJBFBVCXOUFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
PubChem CID	92411
ChEMBL	CHEMBL273671
IUPHAR	N/A
BindingDB	82013
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	1000.0 nM	PMID2984420	BindingDB,ChEMBL

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