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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
SpeciesBos taurus (Bovine)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProtP28190
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4975
IUPHARN/A
DrugBankN/A

Known ligands

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Total entries: 771
Page:  / 8 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
512D structureCHEMBL2113609C17H25N5O4363.4188 / 40.8Yes
1852D structureCHEMBL473650C21H14N6O2382.3835 / 12.8Yes
6722D structureCHEMBL343256C19H21N5O335.4114 / 14.5Yes
14672D structureCHEMBL540094C24H30Cl2N4O3493.4296 / 2N/AN/A
57402D structureCHEMBL107637C17H14N4274.3273 / 13.5Yes
59462D structureCHEMBL268964C13H12ClN5O2305.7224 / 22.2Yes
67002D structureCHEMBL210642C18H16N6O3364.3656 / 21.2Yes
77032D structureCHEMBL388520C22H21FN6388.456 / 14.7Yes
80692D structureCHEMBL16539C16H14N4O278.3153 / 13.0Yes
91952D structureCHEMBL100346C15H23N5O2305.3824 / 02.2Yes
93382D structureCHEMBL275421C22H23N5O373.463 / 14.3Yes
98922D structureCHEMBL224097C25H24ClFN4O2466.9416 / 15.7No
105572D structureCHEMBL118679C15H11N5O2293.2864 / 21.3Yes
110292D structure3-Isobutyl-1-methylxanthineC10H14N4O2222.2483 / 11.5Yes
5576362D structureAC1OA4F2C13H12N4O3272.2644 / 22.1Yes
122742D structureCHEMBL224718C23H25ClN6420.9455 / 16.3No
122842D structureCHEMBL316687C16H19ClN6O2362.8185 / 12.6Yes
147112D structureCHEMBL484497C22H14IN5O2507.2914 / 14.2No
151072D structureCHEMBL377194C29H18N6O5530.57 / 05.0No
153862D structureCHEMBL223229C22H25ClN4O2412.9185 / 15.1No
155002D structureCHEMBL11385C13H11N5O4301.2625 / 12.0Yes
160432D structureCHEMBL152488C16H21IN4O2428.2743 / 13.5Yes
161222D structureEtamiphyllineC13H21N5O2279.3444 / 00.3Yes
161532D structureCHEMBL324100C19H12N4O2328.3314 / 03.3Yes
166552D structureCHEMBL106740C16H10ClN3O295.7262 / 13.4Yes
167162D structureCHEMBL95384C15H11FN2O254.2644 / 13.0Yes
195282D structureCHEMBL11146C14H12N4O4300.2745 / 22.0Yes
200242D structureCHEMBL2113640C20H24IN7O4553.3619 / 51.4No
203352D structureCHEMBL11173C23H31N5O6S505.598 / 23.8No
203852D structureCHEMBL195522C17H14ClN3O2327.7684 / 23.4Yes
205702D structureCHEMBL197359C18H17N3O3323.3525 / 22.7Yes
217172D structureCHEMBL102429C16H15N3O265.3164 / 12.9Yes
226762D structureCHEMBL112756C21H14N4O338.373 / 03.9Yes
227832D structureCHEMBL100440C16H25N5O3335.4085 / 11.6Yes
231062D structure2-methyl-7-phenyl-1,8-naphthyridineC15H12N2220.2752 / 03.5Yes
235282D structureCHEMBL331169C15H9N5O5339.2676 / 21.5Yes
248442D structure2-ChloroadenosineC10H12ClN5O4301.6878 / 4-0.1Yes
277162D structureCHEMBL400330C24H29ClN6O5516.9839 / 42.5No
282612D structureCHEMBL224179C25H25ClN4O2448.9515 / 15.7No
289902D structureCHEMBL313258C23H27ClN4O2426.9455 / 04.4Yes
293102D structureCHEMBL322263C16H11ClN4294.7423 / 13.8Yes
294772D structure2'-Me-tecadenosonC15H21N5O5351.3639 / 4-1.0Yes
295352D structureCHEMBL519319C17H15N5O5S2433.4577 / 01.4Yes
302722D structureCHEMBL515433C14H9FN6O296.2655 / 11.1Yes
307612D structureCHEMBL146549C19H23N5O4385.4248 / 30.2Yes
310672D structureCHEMBL475026C29H20N6O4516.5177 / 04.4No
318082D structureCHEMBL355898C18H19N5O321.3844 / 14.0Yes
320032D structureCHEMBL611115C16H23N5O4349.3918 / 40.2Yes
332982D structure7-Methyl-[1,8]naphthyridin-4-ylamineC9H9N3159.1923 / 11.2Yes
333082D structureCHEMBL158598C18H15ClN6350.815 / 14.2Yes
338982D structureCHEMBL144799C22H27ClN4O3430.9336 / 15.1No
339192D structure205171-06-8C16H23N5O4349.3918 / 40.3Yes
340422D structureCHEMBL545362C23H35ClN6O4S527.0817 / 3N/ANo
342542D structureCHEMBL445067C30H23N5O3501.5465 / 15.1No
344482D structureCHEMBL106040C17H13N3O275.3112 / 02.9Yes
346622D structureCHEMBL19533C16H12N4260.33 / 23.6Yes
349862D structureCHEMBL273657C17H14N4O3322.3246 / 13.2Yes
352282D structureCHEMBL8966C12H10ClN5O2291.6956 / 11.9Yes
359702D structurepentoxifyllineC13H18N4O3278.3124 / 00.3Yes
360542D structureCHEMBL161711C17H19ClN6342.8315 / 14.1Yes
360572D structureCHEMBL83855C12H9ClN4O3292.6795 / 12.1Yes
362972D structureCHEMBL484112C24H20N6O3440.4635 / 23.2Yes
363072D structureCHEMBL421420C15H10N6O3322.2845 / 11.5Yes
365502D structureCHEMBL159195C19H18N6330.3955 / 13.9Yes
394512D structureCHEMBL320283C24H18N4O378.4353 / 14.6Yes
400202D structureCHEMBL314720C22H25ClN4O2412.9185 / 04.1Yes
423792D structureCHEMBL145751C15H9ClFN5313.725 / 13.1Yes
426472D structureCHEMBL200479C16H12ClN5O325.7565 / 13.0Yes
434982D structureCHEMBL178863C15H14N4O5330.37 / 02.2Yes
442782D structureCHEMBL606495C11H14ClN5O4315.7148 / 40.0Yes
444502D structureCHEMBL357346C16H24N4O3320.3934 / 13.4Yes
447382D structure1,3-Dipropyl-8-phenylxanthineC17H20N4O2312.3733 / 14.0Yes
448032D structureCHEMBL276545C16H11ClN4O2326.743 / 02.8Yes
448082D structureCHEMBL209061C30H24N6O3516.5616 / 24.5No
456502D structureCHEMBL97778C15H11ClN2254.7172 / 04.1Yes
461362D structureCHEMBL2261732C15H13NO4S303.3324 / 11.0Yes
462582D structureCHEMBL158859C16H17ClN6328.8045 / 13.5Yes
463382D structureCHEMBL226719C19H17ClN6364.8375 / 14.3Yes
476622D structureCHEMBL2413100C49H45N9O11S968.01116 / 102.5No
477142D structureCHEMBL147913C19H23N5321.4284 / 15.6No
480592D structureCHEMBL146479C19H15N5O329.3634 / 14.1Yes
5587652D structureCHEMBL7327C15H10N4O2278.2715 / 22.9Yes
489392D structureCHEMBL98678C16H11ClN4O2326.744 / 13.2Yes
507812D structureCHEMBL327853C13H7ClN4O2286.6754 / 12.3Yes
508412D structureCHEMBL346676C16H23FN4O2322.3844 / 13.9Yes
517712D structureCHEMBL380031C29H22N6O2486.5355 / 24.5Yes
523082D structureCHEMBL194956C18H17N3O2307.3534 / 23.1Yes
524232D structureCHEMBL94538C15H14N4250.3054 / 22.8Yes
526292D structureCHEMBL212633C29H20N6O4516.5176 / 15.0No
534252D structureCHEMBL514196C14H9N5O2279.2594 / 11.3Yes
535572D structureCHEMBL275793C17H14N4O2306.3253 / 13.4Yes
539182D structureCHEMBL106986C24H20N4364.4523 / 15.8No
543252D structureCHEMBL198639C16H11ClN4O310.7413 / 03.4Yes
547582D structureCHEMBL104999C15H13N3O251.2894 / 22.2Yes
557552D structureCHEMBL11049C20H26N6O4S446.5267 / 11.9Yes
567532D structureCHEMBL211713C22H14N6O4426.3926 / 13.4Yes
568182D structureCHEMBL161628C17H13N7O2347.3387 / 13.0Yes
578072D structureCHEMBL320093C19H17N3O303.3652 / 03.8Yes
592312D structureCHEMBL16010C29H23N5O457.5373 / 15.5No
605332D structureCHEMBL377523C18H15N5O3349.355 / 11.9Yes

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