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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

NameG-protein coupled receptor 55
SpeciesHomo sapiens (Human)
GeneGPR55
SynonymGPR55
DiseaseN/A
Length319
Amino acid sequenceMSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProtQ9Y2T6
Protein Data BankN/A
GPCR-HGmod modelQ9Y2T6
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075322
IUPHAR109
DrugBankBE0005802

Known ligands

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Total entries: 993
Page:  / 10 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
9242D structureMLS000559294C21H14N2O2S2390.4755 / 05.4No
17222D structureSMR000047763C22H16ClN5O2S449.9136 / 15.2No
18082D structureMLS000662404C18H17ClN2O4360.7944 / 04.2Yes
40642D structureAC1LP5MHC19H16N2O2S336.4094 / 04.1Yes
53182D structureMLS-0437447.0001C13H13N5O2S303.345 / 21.4Yes
53192D structureAC1MCK42C13H13N5O2S303.345 / 21.4Yes
53462D structureMLS001175476C20H26N2O2326.442 / 23.8Yes
68572D structureAM 281C21H19Cl2IN4O2557.2134 / 15.3No
91102D structureSMR000153080C23H27F3N4O3S496.5498 / 13.6Yes
104752D structureCHEMBL470199C18H16O3280.3233 / 04.2Yes
112692D structureCHEMBL3221194C15H14N2OS270.352 / 03.2Yes
5218092D structureCHEMBL3781158C24H28N4O4436.5126 / 02.3Yes
5576492D structure5-ethoxy-2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)phenolC18H18N2O2294.3543 / 23.9Yes
5218512D structureN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamideC19H23N3O3S2405.5315 / 33.8Yes
147042D structureCHEMBL2392162C18H12FNO6357.2937 / 22.2Yes
165102D structureMolPort-000-709-019C24H26ClN3O3439.945 / 2N/AN/A
5219792D structureCHEMBL3747042C30H29N3O3S2543.75 / 37.5No
172932D structureMLS-0437176.0001C20H18N4O330.3914 / 03.6Yes
173772D structureMLS001028573C18H13BrO6S437.266 / 03.4Yes
5220192D structureCHEMBL3746607C27H22FN3O3S2519.6096 / 35.7No
187512D structureethyl 5-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylateC19H15Cl2N3O3404.2476 / 04.9Yes
187922D structureMLS000098536C22H23N3O4S425.5037 / 13.7Yes
191982D structureMLS-0435573.0001C19H22N2O4S2406.5156 / 12.8Yes
193532D structureCHEMBL2181547C18H16O3280.3233 / 14.2Yes
197552D structure4E1RCatC28H18N2O6478.466 / 15.3No
198492D structureCHEMBL2181697C19H18O5326.3485 / 12.9Yes
210282D structureBDBM61566C21H15FN4O2374.3757 / 24.6Yes
5220862D structureCHEMBL3779954C27H32N4O4476.5776 / 02.9Yes
215542D structureMLS000552282C22H17N3OS2403.5184 / 05.1No
215872D structureCHEMBL3221182C15H16N2O3S304.3645 / 02.5Yes
222362D structureCHEMBL2392173C18H9BrN2O5413.1836 / 22.5Yes
224002D structureMLS-0435415.0001C23H22N2O4S2454.5596 / 14.4Yes
224172D structureCHEMBL455557C10H7IO2286.0682 / 02.9Yes
5579702D structureTCMDC-123910C25H26N4O3430.5085 / 24.6Yes
228802D structureSMR000128269C20H19ClN4O3S3495.0278 / 25.4No
239882D structureMLS000122330C23H25ClN6S453.0056 / 04.3Yes
243402D structureMLS000759858C22H27N3O5S2477.5948 / 12.0Yes
243442D structureBDBM61510C22H25N3O3S2443.585 / 24.6Yes
246202D structureCHEMBL2392148C17H17NO5315.3255 / 22.5Yes
5223112D structureCHEMBL3774473C22H22N4O3390.4435 / 02.5Yes
256282D structureMLS000682668C22H23F3N4OS448.5088 / 16.1No
258812D structureMLS000724457C19H25N2+281.4231 / 03.9Yes
263272D structureMLS001017764C24H19N3O4S445.4936 / 24.4Yes
264442D structureCHEMBL469519C17H14O3266.2963 / 03.8Yes
269242D structureN-(dibenzylcarbamothioyl)-4-methoxybenzamideC23H22N2O2S390.5013 / 14.6Yes
276162D structureMLS-0413566.0001C19H20N2O7S420.4368 / 11.3Yes
278132D structureMLS000581736C22H19NO3S377.4584 / 15.4No
5581152D structureSMR000047809C27H25N3O5471.5136 / 34.1Yes
281222D structureMLS-0300380.0001C19H17N5O2S379.4385 / 23.3Yes
281242D structureAC1MCK46C19H17N5O2S379.4385 / 23.3Yes
282072D structureST50920082C23H16N4O3S3492.5868 / 24.3Yes
282812D structureMLS-0435434.0001C22H21ClN6404.9025 / 04.5Yes
283812D structureMLS000584397C19H20N2OS2356.5024 / 05.0Yes
5581222D structureMLS000331008C19H17F3N4O4422.3649 / 42.6Yes
289372D structureCHEMBL2392164C17H10ClNO5343.7195 / 22.7Yes
5534052D structuren-oleoylethanolamineC20H39NO2325.5372 / 26.3No
295992D structureMLS001183805C19H16N4300.3653 / 13.7Yes
297302D structureCHEMBL3220951C19H18N2OS322.4262 / 04.0Yes
298682D structure7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amineC7H5ClN4O3228.5926 / 12.2Yes
302472D structure3-phenyl-1,4-benzodioxine-2-carbaldehydeC15H10O3238.2423 / 02.9Yes
305142D structureMLS000948488C22H18Cl3N3S462.8174 / 1N/AN/A
308742D structureMLS000551370C15H18O4262.3054 / 13.9Yes
313162D structureMLS000533789C25H29BrNO3S+503.4754 / 06.9No
325682D structureCHEMBL2181546C26H30O4406.5224 / 27.8No
334662D structureAM251C22H21Cl2IN4O555.2413 / 16.5No
355722D structureMLS000333702C18H13FN2OS324.3735 / 04.9Yes
361872D structureMLS000547582C14H9ClN2O2S304.7485 / 03.8Yes
367292D structureMLS-0203836.0001C27H22N4O3S2514.6187 / 25.3No
368332D structureASN 04482516C24H19N5O3S2489.5688 / 15.4No
368892D structureMLS-0435537.0001C21H26N2O5S2450.5687 / 13.3Yes
370942D structureMLS000532255C22H23ClN4378.9044 / 1N/AN/A
383752D structureMLS000579709C25H29NO359.5132 / 15.2No
387592D structure2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrileC22H22N4342.4464 / 04.1Yes
392302D structureMLS-0437226.0001C19H26N4OS358.5045 / 04.0Yes
393042D structureCHEMBL3220956C13H11BrN2OS323.2083 / 03.3Yes
407102D structureMLS-0435440.0001C22H19Cl2FN6457.3346 / 05.2No
409632D structureMLS-0413763.0001C23H30N2O7S478.568 / 12.8Yes
417172D structureAC1M2Z2IC13H9BrClN3O2354.5884 / 13.4Yes
421482D structureMLS000531878C20H25ClN4O4S2485.0148 / 13.4Yes
425902D structureMLS000571301C22H23N3O4S2457.5636 / 24.2Yes
428312D structureCHEMBL2392150C18H13NO5323.3045 / 22.1Yes
435182D structureMLS-0435427.0001C24H20ClN3O4S2514.0117 / 25.3No
435262D structureCHEMBL2392154C17H10N2O7354.2747 / 21.9Yes
441422D structureCHEMBL2392152C20H12N2O5360.3256 / 22.7Yes
442672D structureMLS-0435426.0001C24H21N3O5S2495.5688 / 24.1Yes
446292D structureMLS000674599C24H28ClN5O5501.9687 / 22.7No
446382D structureMLS000389271C24H16O4368.3884 / 05.8No
457452D structureCHEMBL2387532C22H23BrO3415.3273 / 06.9No
461572D structureMLS001163538C24H21N3O4S2479.5697 / 14.4Yes
5587102D structureMLS-0437448.0001C11H11N5S245.3043 / 31.2Yes
466142D structureMLS000575039C24H22N2O5S2482.5697 / 35.1No
466452D structureMLS000540783C28H24N4O4S512.5847 / 25.1No
470572D structureCHEMBL2392175C19H14BrNO6432.2266 / 23.1Yes
471722D structureSMR000120305C20H18ClN7O2423.8617 / 02.7Yes
477012D structureCID 73401589C19H21N2+277.3910 / 04.1Yes
478172D structureMLS-0418254.0001C19H24N2O5S2424.537 / 12.7Yes
478452D structureMLS000948484C24H25ClN4OS453.0016 / 1N/AN/A
487322D structureMLS001116134C23H22ClN3O3423.8974 / 04.2Yes
488482D structureMLS000911273C29H32N2O3S488.6464 / 15.7No
489792D structureSMR000152384C21H25N3OS367.5113 / 05.1No

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