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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAdenosine receptor A2a
SpeciesHomo sapiens (Human)
GeneADORA2A
SynonymA2-AR
adenosine receptor A2a
A2A receptor
RDC8
DiseaseGlaucoma
Hypertension
Neuropathic pain
Pain
Parkinson's disease
[ Show all ]
Length412
Amino acid sequenceMPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
UniProtP29274
Protein Data Bank5iub, 3eml, 5jtb, 5iua, 5om4, 5olo, 4ug2, 5k2b, 5iu4, 5g53, 5iu7, 5wf6, 5iu8, 4uhr, 5n2r, 3pwh, 3qak, 5olz, 3uza, 5wf5, 5nlx, 3rey, 5mzj, 5nm4, 3uzc, 5uvi, 5olv, 2ydo, 4eiy, 5k2a, 5olg, 6aqf, 5nm2, 5mzp, 5vra, 3vga, 5olh, 2ydv, 6gdg, 3rfm, 5om1, 3vg9
GPCR-HGmod modelP29274
3D structure modelThis structure is from PDB ID 5iub.
BioLiPBL0312021,BL0312022, BL0227997,BL0227998,BL0227999, BL0227995, BL0357563,BL0357564,BL0357565, BL0401927,BL0401928,BL0401929, BL0401926, BL0401593, BL0401594,BL0401595,BL0401596, BL0393147,BL0393148,BL0393149, BL0393146, BL0385557, BL0385558,BL0385559,BL0385560,, BL0398902, BL0398903,BL0398904,BL0398905, BL0227996, BL0405663, BL0350698,BL0350699,BL0350700,, BL0401935,BL0401936,BL0401937, BL0401934, BL0401954,BL0401955,BL0401956,, BL0401953, BL0350707, BL0350708,BL0350709,BL0350710,, BL0379729, BL0379726,BL0379727,BL0379728, BL0379725, BL0152618, BL0350713,BL0350714,BL0350715, BL0350712, BL0350697, BL0215975, BL0401931,BL0401932,BL0401933, BL0401930, BL0213751, BL0405662, BL0393144, BL0393145, BL0199981, BL0385550, BL0385551,BL0385552,BL0385553, BL0353317,BL0353318, BL0393150, BL0393151,BL0393152, BL0213760, BL0379361, BL0379362,BL0379363,BL0379364, BL0401944,BL0401945,BL0401946,, BL0401943, BL0195884, BL0130785, BL0414567, BL0200022, BL0401948, BL0401949,BL0401950,BL0401951,, BL0130764, BL0401938, BL0401939,BL0401940,BL0401941,, BL0350702, BL0350703,BL0350704,BL0350705,, BL0385572, BL0385573,BL0385574,BL0385575, BL0194187, BL0215974, BL0357567,BL0357568,BL0357569, BL0357566, BL0350692, BL0350693,BL0350694,BL0350695,, BL0312023, BL0357562
Therapeutic Target DatabaseT77365
ChEMBLCHEMBL251
IUPHAR19
DrugBankBE0000924

Known ligands

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Total entries: 7412
Page:  / 75 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
472D structureCHEMBL574416C17H12N4O288.313 / 12.7Yes
502D structureCHEMBL2113609C17H25N5O4363.4188 / 40.8Yes
702D structurePyrimidin-4-ylacetamide, 26C19H24N6O2368.4416 / 12.0Yes
1572D structureCHEMBL601208C18H16N4O3S368.4116 / 24.3Yes
1882D structureCHEMBL473650C21H14N6O2382.3835 / 12.8Yes
4416752D structureCHEMBL201449C26H26N4O7506.5157 / 22.7No
2362D structureCHEMBL437168C26H26ClN7O6567.98710 / 52.2No
3662D structureCHEMBL573125C28H31ClN6O5567.0439 / 42.5No
4416882D structureCHEMBL3394262C40H48N14O6820.91618 / 5N/ANo
4782D structureCHEMBL38304C28H32N6O4516.6026 / 23.2No
6702D structureCHEMBL343256C19H21N5O335.4114 / 14.5Yes
6892D structureCHEMBL196259C16H16N8320.366 / 12.3Yes
5214682D structureCHEMBL3827623C26H36N6O3480.6136 / 03.9Yes
7982D structureCHEMBL2170801C22H30ClN5O2431.9656 / 34.2Yes
8022D structureCHEMBL468370C16H11N3O261.2844 / 13.2Yes
8092D structureCHEMBL2089347C27H24ClN5O2485.9726 / 34.2Yes
8282D structureCHEMBL382194C18H20IN7O4525.3078 / 50.4No
8722D structureCHEMBL481383C20H23N5O2365.4373 / 03.6Yes
8962D structureCHEMBL561167C18H22N4O3342.3994 / 13.3Yes
9352D structure2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrileC15H10N4O3294.277 / 12.2Yes
9932D structureCHEMBL1927632C8H7N7O217.1927 / 2-0.1Yes
9982D structureCHEMBL208311C25H30N6O4478.5538 / 42.7Yes
10422D structurePyrimidin-4-ylacetamide, 9C20H24N6O3396.4517 / 11.7Yes
11362D structureCHEMBL2313295C18H16F3N3O2363.345 / 03.1Yes
12012D structureCHEMBL178846C22H25ClN6O5488.9299 / 41.3Yes
5532562D structureMRS-1042C24H28O5396.4835 / 06.0No
14492D structureCHEMBL3121728C27H31ClN6O3523.0346 / 13.6No
14662D structureCHEMBL540094C24H30Cl2N4O3493.4296 / 2N/AN/A
14772D structureCHEMBL1650163C18H13F2N3O325.3195 / 13.2Yes
4417272D structureSCHEMBL1497826C22H20Cl3N3OS480.8325 / 16.5No
15602D structurehexachloropheneC13H6Cl6O2406.8892 / 27.5No
4417342D structureCID 118733042C10H8N4OS232.2614 / 11.1Yes
17142D structureCHEMBL1094143C25H19N5O405.4614 / 14.6Yes
17722D structureCHEMBL2313274C16H17N5O2311.3454 / 10.8Yes
18172D structureCHEMBL603861C21H20F2N4O4430.4127 / 02.2Yes
5573502D structureCHEMBL124887C23H20N6O2412.4536 / 23.8Yes
19922D structureCHEMBL515442C19H20ClIN6O5574.769 / 41.7No
20582D structureCHEMBL407372C28H25F6N5O4609.52911 / 14.9No
21212D structureCHEMBL2112158C21H23ClN6O3442.9047 / 41.7Yes
4417592D structureCHEMBL434692C18H14BrNOS372.283 / 15.8No
22432D structureCHEMBL259178C16H15N5O2309.3296 / 21.9Yes
5573602D structureCHEMBL2312720C18H13N3O3319.324 / 12.9Yes
4417642D structureCHEMBL3410319C23H15F4N5O4501.39811 / 03.9No
23082D structureCHEMBL218837C19H20ClN7O5461.8639 / 50.9Yes
23172D structureCHEMBL366216C19H25N7351.4586 / 34.2Yes
5215262D structureCHEMBL3785142C14H17NO3S279.3544 / 11.8Yes
29922D structureRWJ-68354C19H15FN4O334.3545 / 23.3Yes
30592D structureCHEMBL376920C19H15N3285.353 / 14.4Yes
30962D structureCHEMBL131242C33H42N8O4614.75110 / 53.7No
31042D structurePyrimidin-4-ylacetamide, 6C22H29N7O2423.5217 / 12.2Yes
31852D structureCHEMBL201847C26H28N4O4460.5344 / 13.5Yes
36212D structureCHEMBL1927430C19H28N8O5448.48411 / 31.0No
36242D structureCHEMBL574502C23H22ClN7O3479.9257 / 14.3Yes
36732D structureCHEMBL490250C17H22ClN5O4395.8448 / 42.3Yes
37892D structureCHEMBL186443C19H20N8O4424.42110 / 4-0.4Yes
38142D structureCHEMBL257256C16H18ClN3O2S351.8495 / 13.9Yes
5573912D structureCHEMBL124724C18H20N6320.44 / 14.3Yes
38502D structureCEP-11981C28H27N7O477.5725 / 23.9Yes
38532D structure316173-57-6C20H19N7O2389.4197 / 12.7Yes
5573932D structureCHEMBL123144C16H15BrN6371.2424 / 14.1Yes
39572D structureCHEMBL2391832C20H13N3O3S375.4026 / 13.8Yes
40412D structureCHEMBL428716C22H29N7O6487.51711 / 41.1No
5173382D structureSCHEMBL246621C29H29N5O3S527.6438 / 24.1No
40882D structureCHEMBL235717C24H18ClN5O3459.895 / 15.7No
5574012D structureCHEMBL3800558C37H41N5O4619.7667 / 45.7No
41172D structureCHEMBL465640C17H11F3N4328.2986 / 14.0Yes
41642D structureCHEMBL457014C18H20N4O5372.3815 / 22.9Yes
42112D structureCHEMBL278805C22H22Cl2N8O3S549.4319 / 12.7No
42382D structureCHEMBL446264C8H10BrN5256.1074 / 11.4Yes
43322D structureCHEMBL123669C20H19ClN4O366.8494 / 05.4No
43532D structureCHEMBL574701C21H17N7O5447.41110 / 22.2Yes
43572D structureCHEMBL22355C21H17N7O5447.41110 / 22.2Yes
43702D structureCHEMBL1082391C19H19N3O4353.3786 / 12.1Yes
43842D structureCHEMBL3087709C23H17N5O2395.4225 / 13.6Yes
44382D structureCHEMBL574490C19H13Cl2N7O2442.266 / 13.2Yes
45122D structureCHEMBL575605C31H25N7O2527.5886 / 15.4No
4418882D structureCHEMBL3125715C22H29N5O2395.5076 / 33.1Yes
5215922D structure871266-83-0C11H6ClN5O2S307.7127 / 13.7Yes
47532D structureCHEMBL27376C20H20ClIN6O3554.7737 / 42.0No
47582D structureCHEMBL376778C20H19N3O317.3923 / 14.1Yes
48172D structureCHEMBL1171381C31H37N5O4543.6685 / 04.4No
48672D structureCHEMBL611552C20H22N10O7514.45914 / 5-0.1No
48682D structureCHEMBL2413111C20H22N10O7514.45914 / 5-0.1No
48702D structureCHEMBL611552C20H22N10O7514.45914 / 5-0.1No
48782D structureCHEMBL1258192C22H23N7O2417.4737 / 13.5Yes
49342D structureCHEMBL255861C20H15ClN4O3S426.8757 / 13.9Yes
49672D structureCHEMBL429420C24H24N6O412.4975 / 13.8Yes
49962D structureCHEMBL2042308C49H58N8O5839.05410 / 69.0No
49972D structureCHEMBL1766351C21H15ClN4O2390.8273 / 24.1Yes
51522D structureCHEMBL1088665C23H24N6O400.4867 / 22.1Yes
51942D structuretriazine-4-carboxamide, 6C15H12ClN5O2329.7446 / 22.1Yes
4419102D structureCHEMBL3415043C13H12N4O2S288.3256 / 22.2Yes
4635192D structureCHEMBL3612943C20H20ClN9O3S501.9510 / 41.0No
53722D structureCHEMBL3093315C17H17N5O2S355.4165 / 01.4Yes
54022D structureCHEMBL370588C23H21BrN4O4497.3494 / 23.6Yes
56082D structureUNII-29S2U9DRGSC27H28N6O5516.5588 / 15.7No
56242D structureCHEMBL589513C43H56ClN11O7S906.50112 / 91.2No
56262D structureCHEMBL583748C43H56ClN11O7S906.50112 / 91.2No
56302D structure2-(1-hexynyl)adenosineC16H21N5O4347.3758 / 41.3Yes
5479592D structureCHEMBL3981215C16H21N5O4347.3758 / 41.3Yes

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