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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

NameCHEMBL49608
Molecular formulaC32H46N4O3
IUPAC name1-butyl-1-[[3-[4-[[(2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxopiperazin-2-yl]methyl]phenyl]phenyl]methyl]-3-methylurea
Molecular weight534.745
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
Synonyms1-Butyl-1-[4''-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxo-piperazin-2-ylmethyl)-biphenyl-3-ylmethyl]-3-methyl-urea
BDBM50142675
Inchi KeyLTPNZUAMKQUIHB-OUTSHDOLSA-N
Inchi IDInChI=1S/C32H46N4O3/c1-6-8-10-11-20-36-24(3)30(37)34(5)29(31(36)38)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-35(19-9-7-2)32(39)33-4/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3,(H,33,39)/t24-,29-/m0/s1
PubChem CID44293189
ChEMBLCHEMBL49608
IUPHARN/A
BindingDB50142675
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
EC507.2 nMPMID15026057BindingDB,ChEMBL
EC509.5 nMPMID15026057BindingDB,ChEMBL
Efficacy85.0 %PMID15026057ChEMBL

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