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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

NameCHEMBL408640
Molecular formulaC82H97F3N12O13
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-[[4-(trifluoromethyl)phenyl]methylamino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1515.74
Hydrogen bond acceptor17
Hydrogen bond donor13
XlogP8.7
SynonymsN/A
Inchi KeyVLQRIDDYINXVLY-KEWLAEHKSA-N
Inchi IDInChI=1S/C82H97F3N12O13/c1-50(2)41-69(81(110)97-40-18-28-71(97)80(109)88-51(3)72(86)101)95-77(106)66(44-54-21-10-6-11-22-54)91-73(102)63(27-16-17-39-87-48-57-30-35-61(36-31-57)82(83,84)85)90-75(104)68(46-56-32-37-62(100)38-33-56)94-79(108)70(49-98)96-78(107)67(45-55-23-12-7-13-24-55)93-76(105)65(43-53-19-8-5-9-20-53)92-74(103)64(89-52(4)99)47-58-29-34-59-25-14-15-26-60(59)42-58/h5-15,19-26,29-38,42,50-51,63-71,87,98,100H,16-18,27-28,39-41,43-49H2,1-4H3,(H2,86,101)(H,88,109)(H,89,99)(H,90,104)(H,91,102)(H,92,103)(H,93,105)(H,94,108)(H,95,106)(H,96,107)/t51-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1
PubChem CID44377049
ChEMBLCHEMBL408640
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 activity13.0 %PMID2435906ChEMBL
ED501.63 ug ml-1PMID2435906ChEMBL

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