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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 A2b
SpeciesHomo sapiens (Human)
GeneADORA2B
SynonymA2B receptor
adenosine receptor A2b
A2b
A2BR
DiseaseNon-insulin dependent diabetes
Apnea
Asthma
Herpes simplex virus infection
Hypertension
[ Show all ]
Length332
Amino acid sequenceMLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProtP29275
Protein Data BankN/A
GPCR-HGmod modelP29275
3D structure modelThis predicted structure model is from GPCR-EXP P29275.
BioLiPN/A
Therapeutic Target DatabaseT86679
ChEMBLCHEMBL255
IUPHAR20
DrugBankBE0000241

Known ligands

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Total entries: 3815
Page:  / 39 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
462D structureCHEMBL574416C17H12N4O288.313 / 12.7Yes
2332D structureCHEMBL201449C26H26N4O7506.5157 / 22.7No
2372D structureCHEMBL437168C26H26ClN7O6567.98710 / 52.2No
4772D structureCHEMBL38304C28H32N6O4516.6026 / 23.2No
6082D structureCHEMBL17202C28H29N5O4499.5715 / 25.5No
6112D structureCID 53633248C28H29N5O4499.5715 / 25.5No
6882D structureCHEMBL196259C16H16N8320.366 / 12.3Yes
5214632D structureCHEMBL3827623C26H36N6O3480.6136 / 03.9Yes
8012D structureCHEMBL468370C16H11N3O261.2844 / 13.2Yes
8702D structureCHEMBL481383C20H23N5O2365.4373 / 03.6Yes
8952D structureCHEMBL561167C18H22N4O3342.3994 / 13.3Yes
9372D structure2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrileC15H10N4O3294.277 / 12.2Yes
9922D structureCHEMBL1927632C8H7N7O217.1927 / 2-0.1Yes
9992D structureCHEMBL208311C25H30N6O4478.5538 / 42.7Yes
11752D structureCHEMBL319971C17H14ClN5O2355.7825 / 13.2Yes
12042D structureCHEMBL178846C22H25ClN6O5488.9299 / 41.3Yes
14102D structureCHEMBL181062C26H25ClN6O4520.9747 / 16.3No
14222D structure8-PhenylxanthineC11H8N4O2228.2113 / 30.9Yes
14502D structureCHEMBL3121728C27H31ClN6O3523.0346 / 13.6No
14792D structureCHEMBL1650163C18H13F2N3O325.3195 / 13.2Yes
4417312D structureCID 118733042C10H8N4OS232.2614 / 11.1Yes
17162D structureCHEMBL1094143C25H19N5O405.4614 / 14.6Yes
18152D structureCHEMBL603861C21H20F2N4O4430.4127 / 02.2Yes
20572D structureCHEMBL407372C28H25F6N5O4609.52911 / 14.9No
21222D structureCHEMBL2112158C21H23ClN6O3442.9047 / 41.7Yes
22422D structureCHEMBL259178C16H15N5O2309.3296 / 21.9Yes
5573592D structureCHEMBL2312720C18H13N3O3319.324 / 12.9Yes
4417622D structureCHEMBL3410319C23H15F4N5O4501.39811 / 03.9No
23102D structureCHEMBL218837C19H20ClN7O5461.8639 / 50.9Yes
5215272D structureCHEMBL3785142C14H17NO3S279.3544 / 11.8Yes
31842D structureCHEMBL201847C26H28N4O4460.5344 / 13.5Yes
33242D structureCHEMBL3093226C21H27N5O3397.4795 / 02.7Yes
34322D structureCHEMBL2113345C17H18N4O4342.3555 / 31.8Yes
36192D structureCHEMBL1927430C19H28N8O5448.48411 / 31.0No
36762D structureCHEMBL490250C17H22ClN5O4395.8448 / 42.3Yes
38562D structure316173-57-6C20H19N7O2389.4197 / 12.7Yes
39582D structureCHEMBL2391832C20H13N3O3S375.4026 / 13.8Yes
40402D structureCHEMBL428716C22H29N7O6487.51711 / 41.1No
5173362D structureSCHEMBL246621C29H29N5O3S527.6438 / 24.1No
40862D structureCHEMBL235717C24H18ClN5O3459.895 / 15.7No
41192D structureCHEMBL465640C17H11F3N4328.2986 / 14.0Yes
41232D structureBDBM85526C18H22IN7O4527.32310 / 61.2No
41652D structureCHEMBL457014C18H20N4O5372.3815 / 22.9Yes
42102D structureCHEMBL278805C22H22Cl2N8O3S549.4319 / 12.7No
42402D structureCHEMBL446264C8H10BrN5256.1074 / 11.4Yes
43562D structureCHEMBL22355C21H17N7O5447.41110 / 22.2Yes
43852D structureCHEMBL3087709C23H17N5O2395.4225 / 13.6Yes
44392D structureCHEMBL574490C19H13Cl2N7O2442.266 / 13.2Yes
45132D structureCHEMBL575605C31H25N7O2527.5886 / 15.4No
5215932D structure871266-83-0C11H6ClN5O2S307.7127 / 13.7Yes
47562D structureCHEMBL27376C20H20ClIN6O3554.7737 / 42.0No
47602D structureCHEMBL376778C20H19N3O317.3923 / 14.1Yes
48182D structureCHEMBL1171381C31H37N5O4543.6685 / 04.4No
49952D structureCHEMBL2042308C49H58N8O5839.05410 / 69.0No
4419092D structureCHEMBL3415043C13H12N4O2S288.3256 / 22.2Yes
53702D structureCHEMBL3093315C17H17N5O2S355.4165 / 01.4Yes
54012D structureCHEMBL370588C23H21BrN4O4497.3494 / 23.6Yes
56092D structureUNII-29S2U9DRGSC27H28N6O5516.5588 / 15.7No
56322D structure2-(1-hexynyl)adenosineC16H21N5O4347.3758 / 41.3Yes
58422D structureCHEMBL201611C26H29N5O4475.5495 / 23.9Yes
5216332D structureCHEMBL3828530C20H26N6O3398.4676 / 01.7Yes
59072D structureCHEMBL574352C13H12N4O240.2663 / 11.4Yes
4419432D structureCHEMBL3314874C27H26N6O4498.5438 / 23.8Yes
4419472D structureCHEMBL3410309C19H21N5O3367.4096 / 13.0Yes
65032D structureCHEMBL142926C23H22N8O3458.4827 / 23.3Yes
65402D structureCHEMBL1092868C16H13N7O2S367.3877 / 22.4Yes
65522D structureCHEMBL259479C31H33ClN6O4S621.1537 / 15.6No
4636712D structureCHEMBL3581311C19H26N10O410.4867 / 21.1Yes
67322D structureMRS 1754C26H26N6O4486.5326 / 24.9Yes
67392D structureCHEMBL1628266C26H26N6O4506.6126 / 24.9No
69622D structureCHEMBL179935C26H25ClN6O4520.9747 / 16.2No
69692D structureCHEMBL2070887C24H24FN9O2489.5158 / 22.4Yes
70672D structureCHEMBL3091701C13H16N2O3S280.3424 / 21.5Yes
70952D structureCHEMBL1650169C22H23N3O5409.4427 / 12.9Yes
72812D structureCHEMBL201496C25H23N5O4457.495 / 22.9Yes
72922D structureCID 71508724C15H23N7O8429.3914 / 9-2.7No
73882D structureCHEMBL1650167C21H21N3O3363.4175 / 13.4Yes
73992D structureCHEMBL1650353C21H15F6N3O439.3619 / 15.3No
79452D structureCHEMBL562427C25H27N5O6493.527 / 33.3Yes
5361752D structureCHEMBL3980193C29H29Cl2N7O3594.4976 / 33.7No
80462D structureCHEMBL561364C27H29N5O6519.5587 / 23.3No
83952D structureBDBM50166741C13H7N6O2S-311.2997 / 12.6Yes
83992D structureCHEMBL1161797C13H8N6O2S312.3077 / 22.0Yes
85052D structureCHEMBL2180915C17H21N7O2355.4027 / 21.9Yes
87992D structureCHEMBL499220C17H13N3O275.3114 / 13.5Yes
89772D structureCHEMBL460805C20H21N7O2391.4357 / 12.0Yes
90432D structureCHEMBL2042067C12H11BrN2O3311.1354 / 31.5Yes
92842D structure446252-18-2C13H16N2O4264.2814 / 20.9Yes
92952D structureN-(2-hydroxyethyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamideC13H13NO5263.2495 / 21.2Yes
5575382D structureCHEMBL1800784C17H21N7O2355.4025 / 11.4Yes
5575392D structureCHEMBL1800783C17H21N7O2355.4025 / 11.4Yes
5575452D structureCHEMBL1800782C17H21N7O2355.4025 / 11.4Yes
98122D structureCHEMBL32507C23H24IN7O4589.3947 / 22.9No
4421062D structureCHEMBL3410310C20H22FN5O3399.4267 / 13.7Yes
104982D structureCHEMBL2070882C20H25N9O2423.4817 / 21.7Yes
106442D structureCHEMBL1834695C22H17F3N8O2482.4279 / 23.5Yes
106622D structureCHEMBL518497C16H14N6O2322.3287 / 11.7Yes
106652D structureCHEMBL444281C25H27N5O5477.5216 / 34.8Yes
106722D structureCHEMBL2391843C22H21N7OS431.5188 / 24.0Yes
107932D structureCHEMBL201502C26H27FN4O5494.5236 / 34.0Yes

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