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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

NameCHEMBL3919524
Molecular formulaC27H27F4N5O
IUPAC name1-[6-[(2R)-4-[1-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]-2-methylpiperazin-1-yl]-4-(trifluoromethyl)pyridin-3-yl]ethanone
Molecular weight513.541
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.1
SynonymsSCHEMBL13491064
Inchi KeyBPBSSGDAWAXKLS-MRXNPFEDSA-N
Inchi IDInChI=1S/C27H27F4N5O/c1-16-15-35(10-11-36(16)25-13-23(27(29,30)31)22(14-32-25)17(2)37)26-21-5-3-4-20(21)24(33-34-26)12-18-6-8-19(28)9-7-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1
PubChem CID59191603
ChEMBLCHEMBL3919524
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50>100.0 nMNoneChEMBL

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