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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameSmoothened homolog
SpeciesMus musculus (Mouse)
GeneSmo
Synonymsmoothened
SMOH
SMO
FZD11
frizzled family member 11
[ Show all ]
DiseaseN/A for non-human GPCRs
Length793
Amino acid sequenceMAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF
UniProtP56726
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL6080
IUPHAR239
DrugBankN/A

Ligand

NameCHEMBL3604610
Molecular formulaC21H15ClN4O2S
IUPAC nameN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloropyridin-3-yl]benzamide
Molecular weight422.887
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50113484
Inchi KeyAMKJOZJHIFQMGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15ClN4O2S/c1-12(27)24-21-26-16-8-7-14(10-18(16)29-21)15-9-17(19(22)23-11-15)25-20(28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,28)(H,24,26,27)
PubChem CID122185868
ChEMBLCHEMBL3604610
IUPHARN/A
BindingDB50113484
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5064.0 nMPMID26119500BindingDB,ChEMBL

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