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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

NameCHEMBL50556
Molecular formulaC36H44ClN5O4
IUPAC name4-[3-[[butyl(methylcarbamoyl)amino]methyl]phenyl]-N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-oxoazepan-3-yl]benzamide
Molecular weight646.229
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.5
Synonyms3''-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-4-carboxylic acid (1-{[2-(4-chloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-azepan-3-yl)-amide
BDBM50142653
Inchi KeyKBHQOVIJQHQAIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H44ClN5O4/c1-3-4-21-42(36(46)38-2)24-27-8-7-9-30(23-27)28-13-15-29(16-14-28)34(44)40-32-10-5-6-22-41(35(32)45)25-33(43)39-20-19-26-11-17-31(37)18-12-26/h7-9,11-18,23,32H,3-6,10,19-22,24-25H2,1-2H3,(H,38,46)(H,39,43)(H,40,44)
PubChem CID10461880
ChEMBLCHEMBL50556
IUPHARN/A
BindingDB50142653
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
EC50260.0 nMPMID15026056BindingDB,ChEMBL

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