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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 A1
SpeciesHomo sapiens (Human)
GeneADORA1
SynonymRDC7
A1 receptor
A1-AR
A1R
adenosine receptor A1
DiseaseCardiac arrhythmias
Hypertension
Cardiac disease
Cognitive disorders
Diabetes
[ Show all ]
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProtP30542
Protein Data Bank6d9h, 5n2s
GPCR-HGmod modelP30542
3D structure modelThis structure is from PDB ID 6d9h.
BioLiPBL0385576, BL0417675
Therapeutic Target DatabaseT88714, T92072
ChEMBLCHEMBL226
IUPHAR18
DrugBankBE0000013

Known ligands

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Total entries: 6539
Page:  / 66 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
452D structureCHEMBL574416C17H12N4O288.313 / 12.7Yes
692D structurePyrimidin-4-ylacetamide, 26C19H24N6O2368.4416 / 12.0Yes
1872D structureCHEMBL473650C21H14N6O2382.3835 / 12.8Yes
2382D structureCHEMBL437168C26H26ClN7O6567.98710 / 52.2No
3652D structureCHEMBL573125C28H31ClN6O5567.0439 / 42.5No
5479032D structureCHEMBL3938269C19H14ClN3319.7923 / 14.6Yes
4762D structureCHEMBL38304C28H32N6O4516.6026 / 23.2No
6902D structureCHEMBL196259C16H16N8320.366 / 12.3Yes
5214652D structureCHEMBL3827623C26H36N6O3480.6136 / 03.9Yes
7992D structureCHEMBL2170801C22H30ClN5O2431.9656 / 34.2Yes
8002D structureCHEMBL468370C16H11N3O261.2844 / 13.2Yes
8082D structureCHEMBL2089347C27H24ClN5O2485.9726 / 34.2Yes
8292D structureCHEMBL382194C18H20IN7O4525.3078 / 50.4No
8712D structureCHEMBL481383C20H23N5O2365.4373 / 03.6Yes
9362D structure2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrileC15H10N4O3294.277 / 12.2Yes
9912D structureCHEMBL1927632C8H7N7O217.1927 / 2-0.1Yes
9972D structureCHEMBL208311C25H30N6O4478.5538 / 42.7Yes
10442D structurePyrimidin-4-ylacetamide, 9C20H24N6O3396.4517 / 11.7Yes
10912D structureCHEMBL609297C15H19ClN4OS338.8545 / 4N/AN/A
12022D structureCHEMBL178846C22H25ClN6O5488.9299 / 41.3Yes
4631332D structureCHEMBL3613140C24H16ClN5O2S473.9358 / 15.2No
14482D structureCHEMBL3121728C27H31ClN6O3523.0346 / 13.6No
14782D structureCHEMBL1650163C18H13F2N3O325.3195 / 13.2Yes
15462D structureSCHEMBL1497826C22H20Cl3N3OS480.8325 / 16.5No
4417332D structureCID 118733042C10H8N4OS232.2614 / 11.1Yes
17152D structureCHEMBL1094143C25H19N5O405.4614 / 14.6Yes
19902D structureCHEMBL515442C19H20ClIN6O5574.769 / 41.7No
21232D structureCHEMBL2112158C21H23ClN6O3442.9047 / 41.7Yes
21472D structureCHEMBL434692C18H14BrNOS372.283 / 15.8No
22412D structureCHEMBL259178C16H15N5O2309.3296 / 21.9Yes
5573622D structureCHEMBL2312720C18H13N3O3319.324 / 12.9Yes
4417652D structureCHEMBL3410319C23H15F4N5O4501.39811 / 03.9No
23092D structureCHEMBL218837C19H20ClN7O5461.8639 / 50.9Yes
23182D structureCHEMBL366216C19H25N7351.4586 / 34.2Yes
5215252D structureCHEMBL3785142C14H17NO3S279.3544 / 11.8Yes
4632332D structureCHEMBL3613138C18H13N5O2S363.3957 / 14.0Yes
29942D structureRWJ-68354C19H15FN4O334.3545 / 23.3Yes
30602D structureCHEMBL376920C19H15N3285.353 / 14.4Yes
31062D structurePyrimidin-4-ylacetamide, 6C22H29N7O2423.5217 / 12.2Yes
32082D structureSCHEMBL4154525C17H16F3NOS339.3766 / 15.8No
34832D structureCHEMBL56534C17H11BrN2O3S403.255 / 15.6No
36202D structureCHEMBL1927430C19H28N8O5448.48411 / 31.0No
36742D structureCHEMBL490250C17H22ClN5O4395.8448 / 42.3Yes
37902D structureCHEMBL186443C19H20N8O4424.42110 / 4-0.4Yes
38152D structureCHEMBL257256C16H18ClN3O2S351.8495 / 13.9Yes
38552D structure316173-57-6C20H19N7O2389.4197 / 12.7Yes
39592D structureCHEMBL2391832C20H13N3O3S375.4026 / 13.8Yes
40422D structureCHEMBL428716C22H29N7O6487.51711 / 41.1No
5173372D structureSCHEMBL246621C29H29N5O3S527.6438 / 24.1No
40872D structureCHEMBL235717C24H18ClN5O3459.895 / 15.7No
5574002D structureCHEMBL3800558C37H41N5O4619.7667 / 45.7No
41182D structureCHEMBL465640C17H11F3N4328.2986 / 14.0Yes
42092D structureCHEMBL278805C22H22Cl2N8O3S549.4319 / 12.7No
42392D structureCHEMBL446264C8H10BrN5256.1074 / 11.4Yes
43542D structureCHEMBL22355C21H17N7O5447.41110 / 22.2Yes
43732D structureCHEMBL56115C24H19NOS369.4823 / 16.8No
43832D structureCHEMBL3087709C23H17N5O2395.4225 / 13.6Yes
44372D structureCHEMBL574490C19H13Cl2N7O2442.266 / 13.2Yes
45142D structureCHEMBL575605C31H25N7O2527.5886 / 15.4No
46042D structureCHEMBL3125715C22H29N5O2395.5076 / 33.1Yes
46532D structureethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylateC14H12F3NO2S315.317 / 14.5Yes
46842D structure3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amineC14H12BrNOS322.223 / 14.5Yes
5215902D structure871266-83-0C11H6ClN5O2S307.7127 / 13.7Yes
47502D structureCHEMBL27376C20H20ClIN6O3554.7737 / 42.0No
47592D structureCHEMBL376778C20H19N3O317.3923 / 14.1Yes
48162D structureCHEMBL1171381C31H37N5O4543.6685 / 04.4No
48362D structureCID 44327951C15H18ClN5O3351.7915 / 11.0Yes
48662D structureCHEMBL611552C20H22N10O7514.45914 / 5-0.1No
48692D structureCHEMBL2413111C20H22N10O7514.45914 / 5-0.1No
48712D structureCHEMBL611552C20H22N10O7514.45914 / 5-0.1No
48772D structureCHEMBL1258192C22H23N7O2417.4737 / 13.5Yes
49332D structureCHEMBL255861C20H15ClN4O3S426.8757 / 13.9Yes
49942D structureCHEMBL2042308C49H58N8O5839.05410 / 69.0No
4419032D structureCHEMBL1766351C21H15ClN4O2390.8273 / 24.1Yes
51532D structureCHEMBL1088665C23H24N6O400.4867 / 22.1Yes
51832D structureCHEMBL565074C17H12INOS405.2533 / 15.4No
51932D structuretriazine-4-carboxamide, 6C15H12ClN5O2329.7446 / 22.1Yes
4419082D structureCHEMBL3415043C13H12N4O2S288.3256 / 22.2Yes
4635172D structureCHEMBL3612943C20H20ClN9O3S501.9510 / 41.0No
53742D structureCHEMBL3093315C17H17N5O2S355.4165 / 01.4Yes
56102D structureUNII-29S2U9DRGSC27H28N6O5516.5588 / 15.7No
56252D structureCHEMBL589513C43H56ClN11O7S906.50112 / 91.2No
56272D structureCHEMBL583748C43H56ClN11O7S906.50112 / 91.2No
56332D structure2-(1-hexynyl)adenosineC16H21N5O4347.3758 / 41.3Yes
57882D structureCHEMBL108552C25H31FN4O5S518.6047 / 15.8No
5216282D structureCHEMBL3799847C20H18ClN5O4S459.9058 / 31.6Yes
59062D structureCHEMBL574352C13H12N4O240.2663 / 11.4Yes
59582D structureCHEMBL220386C21H21FN6O5456.43410 / 41.3Yes
59892D structureCHEMBL595981C25H32ClN3O5S522.0577 / 14.9No
60682D structureCHEMBL255649C20H16N4O3S392.4337 / 13.3Yes
4636282D structureCHEMBL3613133C25H19N5O2S2485.589 / 15.1No
63922D structuretriazine-4-carboxamide, 13C15H14N6O2310.3177 / 20.8Yes
64622D structureCHEMBL208530C12H17N7O4323.3138 / 5-1.0Yes
4419422D structureCHEMBL3314874C27H26N6O4498.5438 / 23.8Yes
4419452D structureCHEMBL3410309C19H21N5O3367.4096 / 13.0Yes
65042D structureCHEMBL142926C23H22N8O3458.4827 / 23.3Yes
4636702D structureCHEMBL3581311C19H26N10O410.4867 / 21.1Yes
66992D structureCHEMBL210642C18H16N6O3364.3656 / 21.2Yes
67342D structureMRS 1754C26H26N6O4486.5326 / 24.9Yes
68212D structureCHEMBL90298C19H23N5O3369.4254 / 23.4Yes

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