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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAdenosine receptor A2a
SpeciesCavia porcellus (Guinea pig)
GeneADORA2A
SynonymN/A
DiseaseN/A for non-human GPCRs
Length409
Amino acid sequenceMSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS
UniProtP46616
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2605
IUPHARN/A
DrugBankN/A

Known ligands

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Total entries: 77
Page:  / 1 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
110242D structure3-Isobutyl-1-methylxanthineC10H14N4O2222.2483 / 11.5Yes
5576372D structureAC1OA4F2C13H12N4O3272.2644 / 22.1Yes
166042D structureCHEMBL446679C12H18N4O2250.3023 / 12.2Yes
195302D structureCHEMBL11146C14H12N4O4300.2745 / 22.0Yes
248492D structure2-ChloroadenosineC10H12ClN5O4301.6878 / 4-0.1Yes
322782D structureAllyltheobromineC10H12N4O2220.2323 / 00.6Yes
447422D structure1,3-Dipropyl-8-phenylxanthineC17H20N4O2312.3733 / 14.0Yes
481782D structureCHEMBL25373C11H14N4O4266.2575 / 0-0.6Yes
604762D structureCHEMBL417654C10H14N4O2222.2483 / 00.8Yes
622522D structureTheophylline, 7-(2-propynyl)-C10H10N4O2218.2163 / 0-0.2Yes
645882D structureCHEMBL423239C18H20N4O4356.3825 / 23.8Yes
973532D structure1,3-DiethylxanthineC9H12N4O2208.2213 / 10.9Yes
984062D structure1,7-Dimethyl-3-isobutylxanthineC11H16N4O2236.2753 / 01.3Yes
5603942D structureCHEMBL27155C17H20N4O3328.3724 / 24.0Yes
1006912D structureBRN 1229021C17H20N4O2312.3733 / 02.5Yes
1130302D structure1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3,7-dipropyl-C12H18N4O2250.3023 / 01.3Yes
1140502D structure7-propyltheophyllineC10H14N4O2222.2483 / 00.4Yes
1224872D structure1-Isoamyl-3-isobutylxanthineC14H22N4O2278.3563 / 13.1Yes
1279142D structure1-ButylxanthineC9H12N4O2208.2213 / 21.0Yes
1381342D structure14114-46-6C10H10N4O2218.2163 / 00.0Yes
1389812D structure1,3-DiisobutylxanthineC13H20N4O2264.3293 / 12.8Yes
1431282D structure1,3-Dipropyl-8-p-sulfophenylxanthineC17H20N4O5S392.436 / 23.1Yes
1431842D structure1-PropylxanthineC8H10N4O2194.1943 / 20.6Yes
1606682D structure1-methyl-3-ethylxanthineC8H10N4O2194.1943 / 10.5Yes
1624732D structureCHEMBL279688C20H26N4O5S434.5116 / 24.3Yes
1715842D structureCHEMBL127167C7H8N4O2180.1673 / 20.1Yes
1794412D structure1-Ethyl-3-methylxanthineC8H10N4O2194.1943 / 10.3Yes
1815132D structure1-Methyl-3-butylxanthineC10H14N4O2222.2483 / 11.3Yes
1918002D structureCHEMBL131275C13H20N4O2264.3293 / 01.6Yes
1979562D structureCHEMBL276830C13H13N5O2271.284 / 21.5Yes
1988072D structure8-(p-Sulfophenyl)theophyllineC13H12N4O5S336.3226 / 21.6Yes
2016592D structureCHEMBL283412C11H16N4O2236.2753 / 00.7Yes
2017742D structureOprea1_100136C14H14N4O2270.2923 / 01.6Yes
2022482D structureXanthine, 1-methyl-3-propyl-C9H12N4O2208.2213 / 11.0Yes
2072152D structure1,3-DipropylxanthineC11H16N4O2236.2753 / 11.9Yes
2139172D structureCHEMBL589549C13H17N5243.3144 / 12.4Yes
2146362D structureCHEMBL24444C13H16N4O2260.2973 / 01.1Yes
2152822D structure1-MethylxanthineC6H6N4O2166.143 / 2-0.3Yes
2172712D structure50908-62-8C13H16N6O4320.3098 / 4-0.5Yes
2231722D structure1,3-dibenzyl-3,7-dihydro-1h-purine-2,6-dioneC19H16N4O2332.3633 / 13.0Yes
2304482D structureCHEMBL284860C14H20N4O2276.343 / 02.1Yes
2328002D structureCHEMBL286785C11H12N4O2232.2433 / 11.3Yes
2338922D structureETOFYLLINEC9H12N4O3224.224 / 1-1.2Yes
2471272D structureFK-453C23H25N3O2375.4723 / 13.2Yes
2546472D structureCHEMBL24445C13H18N4O2262.3133 / 01.6Yes
2587982D structureCHEMBL11120C13H13N5O2271.284 / 21.8Yes
2609852D structureRolofyllineC20H28N4O2356.473 / 14.9Yes
2611172D structure8-PhenyltheophyllineC13H12N4O2256.2653 / 12.2Yes
2633212D structure1,3,7-TripropylxanthineC14H22N4O2278.3563 / 02.2Yes
2748342D structure7-(2-Chloroethyl)theophyllineC9H11ClN4O2242.6633 / 00.1Yes
2850232D structureCHEMBL273953C14H12N4O4300.2745 / 21.7Yes
2875282D structure1,3-Dipropyl-7-methylxanthineC12H18N4O2250.3023 / 01.7Yes
2971042D structure(S)-PIAC19H23N5O4385.4248 / 42.0Yes
2971182D structure(R)-PIAC19H23N5O4385.4248 / 42.0Yes
3084832D structurecaffeineC8H10N4O2194.1943 / 0-0.1Yes
3123242D structurePACPXC17H20ClN5O2361.834 / 24.0Yes
3153302D structureENPROFYLLINEC8H10N4O2194.1943 / 20.3Yes
3189062D structureZINC36378427C6H4N4O2164.1242 / 0-0.6Yes
3258002D structureCHEMBL25303C8H10N4O3210.1934 / 2-0.7Yes
3267712D structureN6-CyclohexyladenosineC16H23N5O4349.3918 / 41.4Yes
3270262D structureCHEMBL26176C13H20N4O2264.3293 / 01.7Yes
3459692D structureCHEMBL28194C10H14N4O2222.2483 / 11.4Yes
3496032D structureCHEMBL11054C13H12N4O3272.2644 / 21.8Yes
3601112D structureBW A533UC14H12N4O4300.2745 / 21.7Yes
3643482D structureCHEMBL418193C18H22N4O2326.43 / 02.9Yes
3850582D structure7-BenzyltheophyllineC14H14N4O2270.2923 / 01.1Yes
3859642D structure830-65-9C8H10N4O2194.1943 / 10.4Yes
3934402D structureTheobromine, 1-propyl-C10H14N4O2222.2483 / 00.8Yes
3961632D structureCHEMBL20402C20H26N4O2354.4543 / 15.2No
4034482D structureBRN 0240672C8H10N4O3210.1934 / 2-0.6Yes
4055552D structureCHEMBL26406C12H14N4O2246.273 / 01.2Yes
5700012D structureAC1NU9TYC13H12N4O3272.2644 / 21.8Yes
4101722D structureCHEMBL11033C13H13N5O2271.284 / 21.5Yes
4245532D structure3-isopropyl-1-methylxanthineC9H12N4O2208.2213 / 10.8Yes
4275132D structuretheophyllineC7H8N4O2180.1673 / 10.0Yes
4278662D structure7-AllyltheophyllineC10H12N4O2220.2323 / 00.3Yes
4300222D structure102284-70-8C14H18N4O2274.3243 / 01.5Yes

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