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GPCR

NameFollicle-stimulating hormone receptor
SpeciesHomo sapiens (Human)
GeneFSHR
SynonymFollitropin receptor
FSH receptor
FSH-R
LGR1
DiseaseFemale infertility
African trypanosomiasis
Contraception
Ovarian cancer
Length695
Amino acid sequenceMALLLVSLLAFLSLGSGCHHRICHCSNRVFLCQESKVTEIPSDLPRNAIELRFVLTKLRVIQKGAFSGFGDLEKIEISQNDVLEVIEADVFSNLPKLHEIRIEKANNLLYINPEAFQNLPNLQYLLISNTGIKHLPDVHKIHSLQKVLLDIQDNINIHTIERNSFVGLSFESVILWLNKNGIQEIHNCAFNGTQLDELNLSDNNNLEELPNDVFHGASGPVILDISRTRIHSLPSYGLENLKKLRARSTYNLKKLPTLEKLVALMEASLTYPSHCCAFANWRRQISELHPICNKSILRQEVDYMTQARGQRSSLAEDNESSYSRGFDMTYTEFDYDLCNEVVDVTCSPKPDAFNPCEDIMGYNILRVLIWFISILAITGNIIVLVILTTSQYKLTVPRFLMCNLAFADLCIGIYLLLIASVDIHTKSQYHNYAIDWQTGAGCDAAGFFTVFASELSVYTLTAITLERWHTITHAMQLDCKVQLRHAASVMVMGWIFAFAAALFPIFGISSYMKVSICLPMDIDSPLSQLYVMSLLVLNVLAFVVICGCYIHIYLTVRNPNIVSSSSDTRIAKRMAMLIFTDFLCMAPISFFAISASLKVPLITVSKAKILLVLFHPINSCANPFLYAIFTKNFRRDFFILLSKCGCYEMQAQIYRTETSSTVHNTHPRNGHCSSAPRVTNGSTYILVPLSHLAQN
UniProtP23945
Protein Data Bank4mqw
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4mqw.
BioLiPBL0274372
Therapeutic Target DatabaseT68334
ChEMBLCHEMBL2024
IUPHARN/A
DrugBankBE0000387

Ligand

NameCHEMBL300634
Molecular formulaC27H36N2O5
IUPAC name(3R)-1-hexyl-4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine-2,5-dione
Molecular weight468.594
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
Synonyms(R)-1-Hexyl-4-methyl-3-(3'',4'',5''-trimethoxy-biphenyl-4-ylmethyl)-piperazine-2,5-dione
BDBM50142679
Inchi KeyOKGFFIQFMRJYDD-JOCHJYFZSA-N
Inchi IDInChI=1S/C27H36N2O5/c1-6-7-8-9-14-29-18-25(30)28(2)22(27(29)31)15-19-10-12-20(13-11-19)21-16-23(32-3)26(34-5)24(17-21)33-4/h10-13,16-17,22H,6-9,14-15,18H2,1-5H3/t22-/m1/s1
PubChem CID44293310
ChEMBLCHEMBL300634
IUPHARN/A
BindingDB50142679
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<50000.0 nMPMID15026057BindingDB,ChEMBL

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