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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

NameCHEMBL1651827
Molecular formulaC42H46N8O5
IUPAC nameN-[(4R)-1-acetyl-4-[4-[[1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]-2,2,4-trimethyl-3H-quinolin-6-yl]-4-phenylbenzamide
Molecular weight742.881
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.6
Synonyms(R)-N-(1-acetyl-4-(4-((1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)biphenyl-4-carboxamide
BDBM50335480
Inchi KeyOPXOWGCLWBBZBP-HUESYALOSA-N
Inchi IDInChI=1S/C42H46N8O5/c1-30(51)50-39-19-16-35(45-40(52)33-12-10-32(11-13-33)31-8-6-5-7-9-31)26-38(39)42(4,29-41(50,2)3)34-14-17-37(18-15-34)55-28-36-27-49(48-46-36)21-23-54-25-24-53-22-20-44-47-43/h5-19,26-27H,20-25,28-29H2,1-4H3,(H,45,52)/t42-/m1/s1
PubChem CID53326035
ChEMBLCHEMBL1651827
IUPHARN/A
BindingDB50335480
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
IC50324.0 nMPMID24900256BindingDB,ChEMBL

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