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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

NameCHEMBL1651825
Molecular formulaC67H76N14O8S2
IUPAC name4-[3-[[2-[[1-[2-[2-[2-[2-[4-[[4-[(4R)-1-acetyl-2,2,4-trimethyl-6-[(4-phenylbenzoyl)amino]-3H-quinolin-4-yl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight1269.56
Hydrogen bond acceptor18
Hydrogen bond donor5
XlogP8.4
SynonymsBDBM50335471
(R)-4-(3-(2-((1-(2-(2-(2-(2-(4-((4-(1-acetyl-6-biphenyl-4-ylcarboxamido-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-5-amino-N-
Inchi KeyHRBBGJYRISMCKP-XQIOEBDSSA-N
Inchi IDInChI=1S/C67H76N14O8S2/c1-43(82)81-55-26-23-50(71-61(84)46-19-17-45(18-20-46)44-13-10-9-11-14-44)36-54(55)67(7,42-66(81,5)6)48-21-24-53(25-22-48)89-41-52-40-80(78-76-52)28-30-87-32-34-88-33-31-86-29-27-79-39-51(75-77-79)37-70-56(83)38-69-49-16-12-15-47(35-49)59-57-58(68)60(62(85)74-65(2,3)4)91-63(57)73-64(72-59)90-8/h9-26,35-36,39-40,69H,27-34,37-38,41-42,68H2,1-8H3,(H,70,83)(H,71,84)(H,74,85)/t67-/m1/s1
PubChem CID53324742
ChEMBLCHEMBL1651825
IUPHARN/A
BindingDB50335471
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501662.0 nMPMID24900256BindingDB,ChEMBL
Imax65.0 %PMID24900256ChEMBL

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