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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

NameCHEMBL300022
Molecular formulaC29H39N3O6
IUPAC nameN-hexyl-2-[(3S)-4-methyl-2,5-dioxo-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-yl]acetamide
Molecular weight525.646
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50142651
N-Hexyl-2-[(S)-4-methyl-2,5-dioxo-3-(3'',4'',5''-trimethoxy-biphenyl-4-ylmethyl)-piperazin-1-yl]-acetamide
SCHEMBL6140614
Inchi KeyADCUKPKZQVDLCL-QHCPKHFHSA-N
Inchi IDInChI=1S/C29H39N3O6/c1-6-7-8-9-14-30-26(33)18-32-19-27(34)31(2)23(29(32)35)15-20-10-12-21(13-11-20)22-16-24(36-3)28(38-5)25(17-22)37-4/h10-13,16-17,23H,6-9,14-15,18-19H2,1-5H3,(H,30,33)/t23-/m0/s1
PubChem CID10142987
ChEMBLCHEMBL300022
IUPHARN/A
BindingDB50142651
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.0 nMPMID15026057BindingDB,ChEMBL
EC503000.0 nMPMID15026056BindingDB,ChEMBL

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