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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

NameCHEMBL497003
Molecular formulaC23H22N6
IUPAC name1-(pyridin-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
Molecular weight382.471
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
Synonyms1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
BDBM50268375
MCULE-1202859481
1-(4-pyridylmethyl)-4-[4-(2-pyridyl)piperazino]phthalazine
SCHEMBL3613533
[ Show all ]
Inchi KeyHVCKRXNCZNJASA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2
PubChem CID20875737
ChEMBLCHEMBL497003
IUPHARN/A
BindingDB50268375
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50690.0 nMPMID19469545BindingDB,ChEMBL
IC503690.0 nMPMID19469545BindingDB,ChEMBL
IC504493.0 nMPMID19469545BindingDB,ChEMBL

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