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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

NameCHEMBL433263
Molecular formulaC34H49N3O4
IUPAC namemethyl N-butyl-N-[[3-[4-[[(2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxopiperazin-2-yl]methyl]phenyl]phenyl]methyl]carbamate
Molecular weight563.783
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.4
SynonymsBDBM50142672
Butyl-[4''-((2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxo-piperazin-2-ylmethyl)-biphenyl-3-ylmethyl]-carbamic acid methyl ester
Inchi KeyIZDKWWJWMFHPAE-HVNZXBJASA-N
Inchi IDInChI=1S/C34H49N3O4/c1-6-8-10-11-12-13-22-37-26(3)32(38)35(4)31(33(37)39)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-36(21-9-7-2)34(40)41-5/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3/t26-,31-/m0/s1
PubChem CID10030777
ChEMBLCHEMBL433263
IUPHARN/A
BindingDB50142672
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
EC502.7 nMPMID15026057BindingDB,ChEMBL
EC5031.0 nMPMID15026057BindingDB,ChEMBL
Efficacy49.0 %PMID15026057ChEMBL

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