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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

NameCHEMBL45770
Molecular formulaC32H45N5O4
IUPAC name2-[(3S)-3-[[4-[3-[[butyl(methylcarbamoyl)amino]methyl]phenyl]phenyl]methyl]-4-methyl-2,5-dioxopiperazin-1-yl]-N-pentylacetamide
Molecular weight563.743
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50142654
2-{(S)-3-[3''-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-4-ylmethyl]-4-methyl-2,5-dioxo-piperazin-1-yl}-N-pentyl-acetamide
Inchi KeyRNFLMJPUDFNJDQ-NDEPHWFRSA-N
Inchi IDInChI=1S/C32H45N5O4/c1-5-7-9-17-34-29(38)22-37-23-30(39)35(4)28(31(37)40)20-24-13-15-26(16-14-24)27-12-10-11-25(19-27)21-36(18-8-6-2)32(41)33-3/h10-16,19,28H,5-9,17-18,20-23H2,1-4H3,(H,33,41)(H,34,38)/t28-/m0/s1
PubChem CID10120470
ChEMBLCHEMBL45770
IUPHARN/A
BindingDB50142654
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501.7 nMPMID15026057BindingDB,ChEMBL
EC501700.0 nMPMID15026056BindingDB,ChEMBL

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