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GPCR

NameLutropin-choriogonadotropic hormone receptor
SpeciesRattus norvegicus (Rat)
GeneLhcgr
SynonymLuteinizing hormone receptor
LSH-R
LHR
LH/CG-R
LH-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length700
Amino acid sequenceMGRRVPALRQLLVLAVLLLKPSQLQSRELSGSRCPEPCDCAPDGALRCPGPRAGLARLSLTYLPVKVIPSQAFRGLNEVVKIEISQSDSLERIEANAFDNLLNLSELLIQNTKNLLYIEPGAFTNLPRLKYLSICNTGIRTLPDVTKISSSEFNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLISLELKENIYLEKMHSGAFQGATGPSILDISSTKLQALPSHGLESIQTLIALSSYSLKTLPSKEKFTSLLVATLTYPSHCCAFRNLPKKEQNFSFSIFENFSKQCESTVRKADNETLYSAIFEENELSGWDYDYGFCSPKTLQCAPEPDAFNPCEDIMGYAFLRVLIWLINILAIFGNLTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCGAAGFFTVFASELSVYTLTVITLERWHTITYAVQLDQKLRLRHAIPIMLGGWLFSTLIATMPLVGISNYMKVSICLPMDVESTLSQVYILSILILNVVAFVVICACYIRIYFAVQNPELTAPNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKILLVLFYPVNSCANPFLYAIFTKAFQRDFLLLLSRFGCCKRRAELYRRKEFSAYTSNCKNGFPGASKPSQATLKLSTVHCQQPIPPRALTH
UniProtP16235
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2456
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL262162
Molecular formulaC80H102N12O13
IUPAC name(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-(cyclohexylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1439.77
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP8.1
SynonymsN/A
Inchi KeyQUUXCLHNUNLTAN-XETXEXDHSA-N
Inchi IDInChI=1S/C80H102N12O13/c1-50(2)42-68(80(105)92-41-21-33-70(92)79(104)83-51(3)71(81)96)90-76(101)65(45-54-24-11-6-12-25-54)86-72(97)62(32-19-20-40-82-60-30-15-8-16-31-60)85-74(99)67(47-56-35-38-61(95)39-36-56)89-78(103)69(49-93)91-77(102)66(46-55-26-13-7-14-27-55)88-75(100)64(44-53-22-9-5-10-23-53)87-73(98)63(84-52(4)94)48-57-34-37-58-28-17-18-29-59(58)43-57/h5-7,9-14,17-18,22-29,34-39,43,50-51,60,62-70,82,93,95H,8,15-16,19-21,30-33,40-42,44-49H2,1-4H3,(H2,81,96)(H,83,104)(H,84,94)(H,85,99)(H,86,97)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,102)/t51-,62-,63-,64-,65-,66-,67-,68-,69-,70+/m0/s1
PubChem CID44377045
ChEMBLCHEMBL262162
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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
Antiovulatory activity100.0 %PMID2435906ChEMBL
ED500.32 ug ml-1PMID2435906ChEMBL

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