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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

NameSmoothened homolog
SpeciesHomo sapiens (Human)
GeneSMO
SynonymProtein Gx
smoothened, frizzled class receptor
bnb
FZD11
SMO
[ Show all ]
DiseaseN/A
Length787
Amino acid sequenceMAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPPLSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTNEVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAEISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWGAGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTELMDADSDF
UniProtQ99835
Protein Data Bank5v56, 5l7d, 5l7i, 4qim, 5v57, 4n4w, 4qin, 4o9r, 4jkv
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5v56.
BioLiPBL0352217,BL0352218, BL0352216, BL0379427,BL0379429, BL0379428,BL0379430, BL0283867, BL0379431,BL0379433, BL0379432,BL0379434, BL0267120, BL0267121, BL0283868, BL0270837, BL0243904,BL0243905, BL0352219,BL0352220
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5971
IUPHAR239
DrugBankBE0004659

Known ligands

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Total entries: 930
Page:  / 10 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
4592392D structureCHEMBL3692739C16H20ClN5O2S381.8797 / 11.9Yes
9722D structureBDBM50349278C22H20Cl2N4O3459.3273 / 23.0Yes
11512D structureCID 56666585C17H19N3O4329.3564 / 01.0Yes
5359532D structureCHEMBL3955601C25H28N6412.5415 / 14.6Yes
19582D structureCHEMBL2031277C31H29N3O6539.5886 / 35.7No
19982D structureCHEMBL2031274C27H29N3O6491.5446 / 34.8Yes
23392D structureBDBM50349294C22H19Cl2FN4O3477.3174 / 23.1Yes
4592492D structure3-chloro-6-(4-((2-methoxyethyl)sulfonyl)piperazin-1-yl)-2,2'-bipyridineC17H21ClN4O3S396.897 / 01.5Yes
33202D structureCHEMBL3126705C23H20Cl2N2O4S491.3834 / 24.8Yes
39262D structureCHEMBL1823844C24H22ClN5O4S511.9817 / 13.4No
45872D structureCHEMBL3262652C20H18ClF3N6O450.858 / 13.2Yes
5360572D structureCHEMBL568916C19H20FN3O325.3873 / 13.8Yes
51302D structureCHEMBL1823847C24H22ClN5O3463.9226 / 14.2Yes
5360872D structureCHEMBL3938334C30H41N9O543.729 / 12.7No
4636422D structureCHEMBL3692763C26H27ClN4O2462.9785 / 23.6Yes
4592812D structureCHEMBL3696804C19H23ClN4O3S422.9286 / 01.5Yes
71172D structureCHEMBL2063140C27H50O390.6961 / 110.0No
77372D structureCHEMBL1209249C25H23N5O409.4935 / 03.5Yes
5216732D structureCHEMBL3817945C27H29N5OS471.6235 / 04.1Yes
5361842D structureCHEMBL3983372C25H28FN5O2449.538 / 04.2Yes
88982D structureCHEMBL1822447C26H34N6O2462.5986 / 23.5Yes
4639752D structureCHEMBL3604610C21H15ClN4O2S422.8875 / 24.2Yes
91652D structureCHEMBL1082386C26H21N5O419.4885 / 03.9Yes
4592982D structureSCHEMBL2712319C19H21ClN4O2372.8535 / 02.9Yes
102132D structureCHEMBL497218C26H22N6O2450.5028 / 13.6Yes
104672D structureCHEMBL3126704C23H20Cl2N2O4S491.3834 / 24.9Yes
107572D structureCHEMBL497238C26H24N6420.526 / 04.5Yes
107602D structureCHEMBL497639C26H24N6420.526 / 04.5Yes
134032D structureCHEMBL1209455C26H22F3N5O477.4918 / 04.4Yes
4593422D structureSCHEMBL2714472C19H23ClN4O2374.8695 / 11.7Yes
141302D structureGrundmann's ketoneC18H32O264.4531 / 05.9No
4593472D structureSCHEMBL2713794C16H18ClN5O331.8045 / 01.6Yes
5363682D structureCHEMBL3920191C25H28N6O2444.5398 / 03.5Yes
4593542D structureCHEMBL3696810C20H26ClFN4O3S456.9618 / 23.1Yes
4593572D structureCHEMBL3692736C20H26ClN5O387.9125 / 12.8Yes
163852D structureCHEMBL1822453C30H34N6O2510.6426 / 14.4No
5364252D structureCHEMBL3922084C23H29N7O419.5338 / 11.6Yes
4593652D structureSCHEMBL2712382C21H27ClN4O2402.9235 / 12.4Yes
179602D structureBDBM50350338C25H23ClN6O3490.9484 / 22.7Yes
184212D structureCHEMBL2031089C23H21N3O4S435.4985 / 35.1No
5364602D structureCHEMBL3965479C27H32N8O2500.6078 / 12.1No
4593922D structurePF-5274857C20H25ClN4O3S436.9556 / 01.8Yes
5579252D structureSCHEMBL15169489C20H23ClN4O4S450.9387 / 10.7Yes
5481242D structureCHEMBL3963716C20H23ClN4O4S450.9387 / 10.7Yes
4594022D structureSCHEMBL4440843C16H20ClN5O2S381.8797 / 11.9Yes
4594032D structureCHEMBL3696789C20H25ClN4O2388.8965 / 22.9Yes
211122D structureCHEMBL474892C28H24F3N3OS507.5757 / 26.1No
211132D structureCHEMBL474893C28H24F3N3OS507.5757 / 26.1No
224732D structureCHEMBL2031090C27H29N3O5S507.6056 / 35.4No
227192D structureCHEMBL1823835C22H19ClN6O2434.8846 / 13.5Yes
236562D structureCID 56683603C27H24ClN5O3501.9714 / 13.2No
5365872D structureCHEMBL3953149C25H30N6O2446.5558 / 12.7Yes
5366062D structureCHEMBL3921763C26H29F3N6O2514.55311 / 04.8No
5366092D structureSCHEMBL1833847C24H26N6398.5145 / 14.1Yes
252532D structureCHEMBL474302C30H25F3N2O486.5385 / 27.7No
261482D structureMRT-83C31H30N4O5538.6046 / 35.5No
5366802D structureCHEMBL560932C21H25FN4O368.4563 / 14.2Yes
274052D structureCHEMBL3126694C23H21Cl2N3O5S522.3975 / 34.2No
274572D structureCHEMBL1822299C28H36N6O4520.6347 / 23.8No
276082D structureCHEMBL1823585C24H22ClN5O2447.9235 / 14.6Yes
5367022D structureSCHEMBL1830420C24H25F3N6O2486.49911 / 14.1No
281192D structureCHEMBL1084736C27H23N5O433.5155 / 04.3Yes
4594662D structureCHEMBL3696776C18H23ClN4O2S394.9186 / 12.7Yes
5367372D structureCHEMBL3919524C27H27F4N5O513.54110 / 05.1No
295762D structureCHEMBL3262645C24H22ClN7O459.9386 / 12.7Yes
297012D structureBDBM50350339C25H23FN6O3474.4965 / 22.2Yes
298002D structureVismodegibC19H14Cl2N2O3S421.2924 / 13.8Yes
307032D structureCHEMBL2031291C31H30N4O5538.6046 / 35.5No
307832D structureCHEMBL2059863C24H19F3N4O2452.4377 / 24.3Yes
5367712D structureCHEMBL3959511C30H36F3N5O2555.64610 / 06.7No
309952D structureCHEMBL1822295C29H31N5O2481.65 / 15.3No
5367992D structureCHEMBL3903125C27H32F3N7O2543.59511 / 13.3No
319072D structureCHEMBL2160067C28H25ClN6O496.9996 / 25.6No
321912D structureCHEMBL3262638C25H30ClN7O480.0136 / 12.6Yes
323812D structureCID 56673458C23H19Cl2F3N4O3527.3256 / 14.1No
328932D structureCHEMBL3262642C25H22ClFN6O476.946 / 13.9Yes
343212D structureCHEMBL1823618C23H28N4O376.5045 / 05.1No
4595282D structureSCHEMBL2714478C19H23ClN4O358.874 / 03.2Yes
351092D structureCHEMBL495875C25H24N6O424.5086 / 13.2Yes
362312D structureCHEMBL1823842C23H26N4O3406.4866 / 04.4Yes
4595422D structureCHEMBL3696800C18H24N4O2S360.4766 / 12.3Yes
365782D structureCHEMBL2031295C24H23ClN4O5482.9216 / 34.2Yes
5483192D structureCHEMBL3891652C22H27ClN4O2414.9345 / 13.1Yes
5583982D structureSCHEMBL2712532C22H27ClN4O2414.9345 / 13.1Yes
4674292D structureSCHEMBL2713676C21H25ClN4O2400.9075 / 12.7Yes
4595482D structureCHEMBL3696783C18H20ClN5O2S405.9017 / 12.3Yes
372872D structureCHEMBL2063139C27H42366.6330 / 09.0No
4595522D structureSCHEMBL2712050C18H21ClN4O2360.8425 / 02.9Yes
374622D structureCID 56659615C28H26N4O3466.5413 / 13.7Yes
379422D structureCHEMBL1084730C29H28N4O448.574 / 05.5No
381802D structureCHEMBL473896C31H27F3N2O500.5655 / 27.1No
391232D structureCHEMBL1822446C25H32N6O2448.5716 / 23.0Yes
393752D structureCHEMBL3262647C23H24ClN5O2437.9286 / 03.5Yes
401692D structureCHEMBL1813101C22H19Cl2FN4O3477.3174 / 13.3Yes
401702D structureCID 56673457C22H19Cl2FN4O3477.3174 / 13.3Yes
5370312D structureCHEMBL3959587C25H29F3N6O486.54310 / 13.5Yes
412642D structureBDBM50349302C17H19N3O3313.3573 / 10.4Yes
419142D structureCHEMBL2160208C40H41N7O2651.8157 / 25.3No
419522D structureCHEMBL1209190C28H27N5O2465.5575 / 13.4Yes
421442D structureCHEMBL1086467C26H23ClN4O442.9474 / 05.2No

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