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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

NameCHEMBL3974265
Molecular formulaC30H30N2O5
IUPAC namebenzyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Molecular weight498.579
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.2
SynonymsBenzyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoate
GIKUJDCVWYROLZ-UHFFFAOYSA-N
BDBM50196086
SCHEMBL8541962
Benzyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxamido)benzoate
Inchi KeyGIKUJDCVWYROLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N2O5/c1-2-3-4-10-19-32-25-14-9-8-13-24(25)27(33)26(29(32)35)28(34)31-23-17-15-22(16-18-23)30(36)37-20-21-11-6-5-7-12-21/h5-9,11-18,33H,2-4,10,19-20H2,1H3,(H,31,34)
PubChem CID67618850
ChEMBLCHEMBL3974265
IUPHARN/A
BindingDB50196086
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC502000.0 nMPMID27429255BindingDB,ChEMBL
max activation47.0 %PMID27429255ChEMBL

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