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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

NameSphingosine 1-phosphate receptor 1
SpeciesHomo sapiens (Human)
GeneS1PR1
SynonymS1P1
EDG1 (Edg1)
S1P receptor 1
S1P receptor Edg-1
Sphingosine 1-phosphate receptor Edg-1
[ Show all ]
DiseaseRheumatoid arthritis
Psoriasis
Primary progressive multiple sclerosis
Multiple scierosis
Macular degeneration
[ Show all ]
Length382
Amino acid sequenceMGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProtP21453
Protein Data Bank3v2w
GPCR-HGmod modelP21453
3D structure modelThis structure is from PDB ID 3v2w.
BioLiPBL0214678
Therapeutic Target DatabaseT13852
ChEMBLCHEMBL4333
IUPHAR275
DrugBankN/A

Known ligands

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Total entries: 3547
Page:  / 36 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
322D structureMLS000077136C12H11N3O6293.2358 / 1-0.1Yes
1472D structureCHEMBL325198C19H34NO3P355.4594 / 32.0Yes
3032D structureSCHEMBL2458105C27H35NO4S469.645 / 24.9Yes
5573182D structureBDBM65291C25H33FNO5P477.5137 / 31.4Yes
4622D structureSCHEMBL2948159C22H25ClO3S404.9494 / 15.1No
4416892D structureCHEMBL3403625C22H17F3N2O5446.3829 / 13.3Yes
5422D structureMLS000761483C20H19ClN2O338.8353 / 14.5Yes
6352D structureSCHEMBL460059C25H28N4O4448.5238 / 10.3Yes
5573252D structureBDBM65164C22H36NO4PS441.5676 / 31.1Yes
5573272D structureBDBM65165C22H36NO4PS441.5676 / 31.1Yes
4416992D structureCHEMBL3402538C13H17ClN4O2S328.8155 / 11.7Yes
8402D structureSMR000178156C18H11N3O4333.3035 / 03.2Yes
5359302D structureCHEMBL3937763C25H24N4O4444.4918 / 11.2Yes
5359312D structureSCHEMBL1880639C25H24N4O4444.4918 / 11.2Yes
5359322D structureSCHEMBL1880072C25H24N4O4444.4918 / 11.2Yes
5214752D structureCHEMBL3753198C20H22N6O4410.4349 / 12.2Yes
13732D structureSMR000023524C17H26N2O2290.4073 / 04.2Yes
13952D structureMLS000057790C18H13N3O3319.326 / 13.7Yes
14862D structureCHEMBL2011712C19H20N4OS352.4565 / 03.9Yes
5573452D structureSCHEMBL17056275C18H21ClIN413.7271 / 06.3No
5359642D structureCHEMBL3970705C28H31N5O6S565.64510 / 23.2No
19532D structureCHEMBL2018573C28H25F2N5O3517.5377 / 14.9No
20152D structureMLS000053810C21H22N2O5382.4165 / 12.7Yes
21692D structureSR-02000000242C19H15Cl2NO2360.2342 / 15.8No
22462D structureCHEMBL444799C21H17F2N3O3S429.4429 / 14.4Yes
23412D structureCHEMBL3126597C26H35N5O5497.5969 / 33.2Yes
5573672D structureSCHEMBL17056279C16H16Cl3NO344.662 / 14.9Yes
29622D structureCHEMBL1950564C26H24FN3O2S461.5557 / 22.6Yes
29712D structureCHEMBL1938927C26H24FN3O2S461.5557 / 12.6Yes
4592532D structureSCHEMBL3033160C26H36N6O448.6156 / 23.6Yes
5359942D structureCHEMBL3901430C27H31N5O4S521.6369 / 13.8No
5573802D structureBDBM65105C24H32NO5P445.4966 / 30.6Yes
5573812D structureBDBM65106C24H32NO5P445.4966 / 30.6Yes
35002D structureCHEMBL377828C26H29N3O3431.5366 / 23.0Yes
5215542D structureCHEMBL3800120C26H32N4O6496.5649 / 33.2Yes
5573992D structureSCHEMBL17056394C18H19ClN2298.8142 / 05.0Yes
4633742D structureCHEMBL3605520C18H20ClN3O3S393.8865 / 22.4Yes
40602D structure4035-38-5C19H15ClN2O322.7923 / 04.8Yes
5360302D structureCHEMBL3910626C28H33N5O2471.6057 / 14.6Yes
41762D structureSMR000094562C23H26N4O2S422.5476 / 03.6Yes
5215692D structureCHEMBL3797365C26H34N4O6498.589 / 33.2Yes
43462D structureCHEMBL537632C20H31N3O2345.4874 / 43.2Yes
43692D structureMLS000056039C18H21NO3S331.434 / 03.6Yes
43872D structureCHEMBL117973C18H40NO3P349.4964 / 33.3Yes
5360502D structureCHEMBL3949905C26H28N4O2428.5366 / 05.1No
46232D structureSMR000019512C15H8ClNO3S2349.8035 / 03.9Yes
46322D structurediethyl (4-bromobenzylidene)malonateC14H15BrO4327.1744 / 04.0Yes
48892D structureSMR000033264C22H18N4O2370.4125 / 13.8Yes
50852D structureCYM50199C14H12BrCl2NO2377.0593 / 05.2No
5360652D structureCHEMBL3971646C25H26N4O6S510.56510 / 13.1No
51792D structure2-Amino-N-ethyl-5-nitrobenzenesulfonanilideC14H15N3O4S321.3516 / 12.7Yes
4419062D structureCHEMBL3359840C24H24N4O5448.4799 / 10.8Yes
4635092D structureCHEMBL3605529C16H17ClN4O2S364.8485 / 12.5Yes
5360702D structureCHEMBL3948795C27H29N5O4487.567 / 23.4Yes
5360712D structureCHEMBL3977376C27H29N5O4487.567 / 23.4Yes
5360722D structureCHEMBL3939061C27H29N5O4487.567 / 23.4Yes
5360732D structureCHEMBL3958210C27H29N5O4487.567 / 23.4Yes
54822D structureCHEMBL224571C23H19ClF3NO3S481.9148 / 13.1Yes
5360782D structureCHEMBL3971447C25H27N5O2429.5247 / 13.5Yes
5360792D structureCHEMBL3974002C25H27N5O2429.5247 / 13.5Yes
56632D structureCHEMBL3121985C26H33N3O5S499.6268 / 34.6Yes
4419212D structureCHEMBL3360364C21H20N4O2360.4176 / 13.4Yes
59682D structureCHEMBL1938943C23H16F3N3O2423.3957 / 14.6Yes
59932D structureSCHEMBL2237381C21H24ClF3N2O2428.887 / 32.9Yes
60392D structureCHEMBL2011719C19H20N4O2S368.4556 / 03.5Yes
60422D structureMLS000080860C16H16O5S2352.4195 / 11.4Yes
5360922D structureCHEMBL3954502C25H29N3O4435.5246 / 23.4Yes
62562D structureMLS000094175C17H18N2O2S3378.5236 / 14.4Yes
63242D structureCHEMBL211407C21H21ClN2O4400.8596 / 14.4Yes
63712D structureMLS000035729C20H22FNO3343.3985 / 03.0Yes
63762D structureSMR000032959C20H22ClN5O3415.8787 / 14.1Yes
5361002D structureSCHEMBL2197188C22H20N4O2372.4286 / 13.2Yes
5574662D structure3-(3-(4-Octylphenyl)-2-oxoimidazolidin-1-yl)propanoic acidC20H30N2O3346.4713 / 14.6Yes
65972D structureCHEMBL3126596C27H34N4O5494.5928 / 34.0Yes
5216392D structureCHEMBL3797486C27H36N4O6512.6079 / 34.1No
5216502D structureCHEMBL3770278C18H19ClN4O3S406.8857 / 14.0Yes
70762D structureCHEMBL3126622C27H34N4O5494.5928 / 33.6Yes
5216572D structureCHEMBL3771073C22H24N6O3S452.5339 / 10.3Yes
4419962D structureCHEMBL3344423C22H22Cl2FN5O4510.3479 / 23.0No
73612D structureCuspin-1C13H10BrNO276.1332 / 03.3Yes
75392D structureSMR000204386C12H13NO5251.2385 / 02.4Yes
76812D structureCHEMBL196534C25H27N3O3417.5096 / 12.9Yes
78182D structureMLS000056228C12H11N3S2261.3615 / 03.0Yes
80612D structureCHEMBL1950562C25H22FN3O2S447.5287 / 25.5No
4420402D structureCHEMBL3341925C23H29N2O6P460.4678 / 4-0.2Yes
83102D structureSCHEMBL2945721C21H25NO3S371.4954 / 23.7Yes
83412D structureCHEMBL2032437C29H27F3N2O3508.5418 / 14.3No
85902D structureCHEMBL1672569C25H20ClFN2O2S466.9556 / 13.6Yes
5575202D structureBDBM65262C22H31N2O6PS482.5329 / 3-1.3Yes
89552D structureCHEMBL117007C19H34NO4P371.4585 / 40.6Yes
92572D structureCHEMBL2336069C29H35F3N2O3516.6058 / 24.6No
95592D structureSCHEMBL2235117C22H27ClN2O2386.924 / 22.5Yes
97042D structureCHEMBL1916567C24H24ClN3O5469.9227 / 14.2Yes
97262D structureCHEMBL2178810C27H29ClN2O5S529.0486 / 25.6No
97862D structureCHEMBL1935579C26H32ClNO3441.9964 / 2N/AN/A
98472D structureCHEMBL396846C35H43NaO4S2614.8355 / 0N/ANo
99752D structureCHEMBL2011747C26H25F3N4O3S530.5669 / 15.4No
100932D structureSCHEMBL461450C27H31ClN2O4483.0056 / 26.7No
101022D structureCHEMBL226612C20H34FN2O5P432.4737 / 42.2Yes
5575742D structureBDBM65133C26H37N2O5P488.5657 / 30.1Yes

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