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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

NameCHEMBL1651722
Molecular formulaC36H34N2O3
IUPAC nameN-[(4R)-1-acetyl-2,2,4-trimethyl-4-(4-prop-2-ynoxyphenyl)-3H-quinolin-6-yl]-4-phenylbenzamide
Molecular weight542.679
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50335479
(R)-N-(1-acetyl-2,2,4-trimethyl-4-(4-(prop-2-ynyloxy)phenyl)-1,2,3,4-tetrahydroquinolin-6-yl)biphenyl-4-carboxamide
Inchi KeyWCDRAYCUFVMVJV-PSXMRANNSA-N
Inchi IDInChI=1S/C36H34N2O3/c1-6-22-41-31-19-16-29(17-20-31)36(5)24-35(3,4)38(25(2)39)33-21-18-30(23-32(33)36)37-34(40)28-14-12-27(13-15-28)26-10-8-7-9-11-26/h1,7-21,23H,22,24H2,2-5H3,(H,37,40)/t36-/m1/s1
PubChem CID53318154
ChEMBLCHEMBL1651722
IUPHARN/A
BindingDB50335479
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
IC5039.0 nMPMID24900256BindingDB,ChEMBL

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