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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

NameMelatonin receptor type 1A
SpeciesHomo sapiens (Human)
GeneMTNR1A
SynonymMT1 receptor
MelR
Mel1a receptor
Mel-1A-R
DiseaseInsomnia
Anxiety disorder
Circadian rhythm sleep disorder
Major depressive disorder
Sleep disorders
Length350
Amino acid sequenceMQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
UniProtP48039
Protein Data BankN/A
GPCR-HGmod modelP48039
3D structure modelThis predicted structure model is from GPCR-EXP P48039.
BioLiPN/A
Therapeutic Target DatabaseT97613
ChEMBLCHEMBL1945
IUPHAR287
DrugBankBE0000515

Known ligands

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Total entries: 1112
Page:  / 12 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
9122D structureCHEMBL2326200C22H25NO3351.4463 / 14.3Yes
4417082D structureCHEMBL3329375C20H19FN2O3354.3814 / 13.3Yes
10992D structureCHEMBL476341C24H27NO3377.4843 / 24.3Yes
11122D structureCHEMBL99502C14H17BrN2O2325.2062 / 22.8Yes
5214972D structureCHEMBL3760044C18H20N2O3312.3693 / 23.3Yes
18132D structureCHEMBL138807C16H19NO3273.3323 / 21.8Yes
22442D structureCHEMBL124914C14H18N2O2246.313 / 12.5Yes
48332D structureN-(2-(7-Methoxynaphth-1-yl)ethyl)propionamideC16H19NO2257.3332 / 13.2Yes
48352D structureSCHEMBL2299352C15H16N2O2256.3053 / 11.8Yes
48582D structureCHEMBL14453C32H36N2O4512.654 / 25.9No
49292D structureCHEMBL139627C19H21NO3311.3813 / 12.9Yes
50772D structureCHEMBL1774516C18H20F3NO2339.3585 / 13.6Yes
55172D structureCHEMBL184562C26H31NO2389.5392 / 16.3No
4636542D structureCHEMBL3612611C14H16N2O2244.2943 / 11.8Yes
73252D structureCHEMBL562328C18H25N3O2315.4173 / 11.5Yes
80012D structureCHEMBL139091C11H13NO3207.2293 / 10.8Yes
80752D structureCHEMBL1823015C18H19N3O2309.3693 / 22.6Yes
96382D structureCHEMBL2112727C16H20N2O2272.3483 / 12.8Yes
98842D structureAC-42C20H31NO301.4742 / 05.2No
115042D structureCHEMBL141208C13H17NO4251.2824 / 11.3Yes
126672D structureCHEMBL96562C20H19Cl2NO3392.2763 / 15.1No
4644462D structureCHEMBL3580912C15H16N2O2256.3053 / 13.1Yes
5218472D structureCHEMBL3740377C32H32F4N2O4584.6128 / 27.6No
136092D structureCHEMBL300729C13H15N3O4277.284 / 21.4Yes
146712D structureCHEMBL361854C26H33NO2391.5552 / 16.0No
146762D structureCHEMBL341705C16H22N2O2274.3643 / 12.4Yes
146782D structureCHEMBL136531C16H22N2O2274.3643 / 12.4Yes
150782D structureCHEMBL19432C14H19FN2O2266.3164 / 01.1Yes
155352D structure920317-71-1C18H21NO2283.3712 / 13.2Yes
168522D structureBRN 1379764C13H15NO2S249.3283 / 12.5Yes
170122D structureCHEMBL363321C18H19NO265.3561 / 13.2Yes
177882D structureCHEMBL123119C21H32N2O2344.4993 / 13.2Yes
184322D structure17994-17-1C12H14N2O2218.2563 / 20.8Yes
189302D structureCHEMBL457807C22H24BrN3O2442.3573 / 24.0Yes
194352D structureCHEMBL138468C12H14N2O3234.2554 / 11.1Yes
201332D structureCHEMBL113441C13H15IN2O2358.1792 / 21.5Yes
5533392D structure[125I]SD6C13H15IN2O2356.182 / 21.5Yes
201462D structureCHEMBL137998C16H19NO2257.3332 / 13.1Yes
202882D structureCHEMBL298335C13H15N3O4277.284 / 21.4Yes
207572D structureCHEMBL34729C15H18N2O2258.3212 / 22.2Yes
213542D structureCHEMBL139497C15H22N2O2262.3533 / 12.4Yes
213632D structureCHEMBL181687C25H33NO2379.5442 / 16.2No
218022D structureN-(3,3-diphenylpropyl)acetamideC17H19NO253.3451 / 13.3Yes
218102D structureCHEMBL331636C17H24N2O2288.3913 / 13.9Yes
220062D structureCHEMBL1813320C27H40N4O4484.6416 / 23.5Yes
5221312D structureCHEMBL3775436C15H26ClNO3303.8274 / 3N/AN/A
5221632D structureCHEMBL3775769C15H26ClNO3303.8274 / 3N/AN/A
229152D structureCHEMBL1779803C12H12FNOS237.2923 / 12.6Yes
4425792D structureCHEMBL3329371C22H33N3O2S403.5854 / 13.3Yes
236662D structure(hydroxymethylphenyl)agomelatineC22H23NO3349.433 / 23.5Yes
243512D structureCHEMBL1095196C31H33NO5499.6075 / 16.1No
4659552D structureCHEMBL3612463C21H27N3O2353.4663 / 23.5Yes
248262D structureCHEMBL1097496C30H34N2O5502.6115 / 25.1No
249012D structureCHEMBL8004C18H20N2O2296.373 / 23.5Yes
4594392D structure5-MeOT-N-pentanylC19H27N3O2329.4442 / 32.6Yes
271892D structureCHEMBL2203713C18H22N4S326.4624 / 22.9Yes
273342D structureCHEMBL124783C16H22N2O2274.3643 / 13.4Yes
279432D structureCHEMBL98956C13H15BrN2O2311.1792 / 22.3Yes
279902D structureCHEMBL139133C12H15NO4237.2554 / 10.9Yes
280202D structureCHEMBL1760954C14H20N4O2276.344 / 20.2Yes
295912D structureCHEMBL238049C20H24N2O2324.4243 / 13.9Yes
301562D structureCHEMBL10328C21H22N2O318.421 / 13.7Yes
4667352D structureCHEMBL3580909C14H16N2O2244.2942 / 21.9Yes
312782D structureCHEMBL1223277C12H17NO3223.2723 / 11.6Yes
312792D structureN-[2-(3-Methoxyphenoxy)-1-methylethyl]acetamideC12H17NO3223.2723 / 11.6Yes
312822D structureCHEMBL1223278C12H17NO3223.2723 / 11.6Yes
323762D structureCHEMBL139418C18H17NO4311.3374 / 12.4Yes
327242D structureCHEMBL323332C13H15NO3233.2673 / 11.9Yes
328392D structureCHEMBL1223280C12H17NO2S239.3333 / 12.2Yes
328402D structureN-{2-[(3-methoxyphenyl)thio]-1-methylethyl}acetamideC12H17NO2S239.3333 / 12.2Yes
328432D structureCHEMBL1223281C12H17NO2S239.3333 / 12.2Yes
4670162D structureCHEMBL3612602C22H26N2O334.4632 / 14.3Yes
343432D structureCHEMBL1095195C34H38N2O4538.6884 / 26.7No
343782D structureCHEMBL99987C22H24N2O2348.4462 / 14.2Yes
355102D structureCHEMBL1092646C20H25NO4343.4234 / 13.3Yes
355322D structureCHEMBL3260984C19H29NO3319.4453 / 14.1Yes
358722D structureCHEMBL382439C19H26N2O2314.4292 / 13.4Yes
364562D structure920317-82-4C19H21NO3311.3813 / 13.5Yes
370252D structureCHEMBL1774527C22H23NO3349.433 / 13.0Yes
372512D structureCHEMBL7567C18H20N2O2296.373 / 13.2Yes
376762D structureCHEMBL553105C18H26N2O2302.4183 / 23.7Yes
381892D structureCHEMBL137949C15H21N3O2275.3522 / 31.5Yes
387022D structureCHEMBL139744C16H22N2OS290.4252 / 24.0Yes
388942D structureSCHEMBL2299672C15H18N2O2258.3213 / 12.5Yes
388962D structureSCHEMBL2296992C15H18N2O2258.3213 / 12.5Yes
388982D structureSCHEMBL2296995C15H18N2O2258.3213 / 12.5Yes
4677172D structureCHEMBL3580917C13H13N3O2243.2664 / 12.1Yes
392502D structureCHEMBL117617C23H21NO4375.4244 / 14.2Yes
392562D structureCHEMBL136564C15H21N3O2275.3523 / 21.8Yes
392592D structureCHEMBL136431C15H21N3O2275.3523 / 21.8Yes
4677922D structureCHEMBL3580924C14H16N4OS288.3693 / 22.0Yes
397222D structureN-(2,3-diphenylpropyl)acetamideC17H19NO253.3451 / 13.2Yes
400972D structureCHEMBL233516C16H22N2O2274.3642 / 12.4Yes
407012D structureCHEMBL138321C15H17NO3259.3053 / 12.3Yes
412042D structureCHEMBL99534C12H14N2O2218.2562 / 21.2Yes
4679722D structureCHEMBL3612469C19H22N2O294.3982 / 13.3Yes
4679732D structureCHEMBL3612470C19H22N2O294.3982 / 13.3Yes
4679742D structureCHEMBL3612468C19H22N2O294.3982 / 13.3Yes
4680042D structureCHEMBL3628489C14H15NO4261.2774 / 11.0Yes
421602D structureCHEMBL514280C24H29NO2363.5012 / 14.9Yes

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