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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

NameCHEMBL436705
Molecular formulaC79H102N12O13
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-(2,2-dimethylpropylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1427.76
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP8.0
SynonymsN/A
Inchi KeyCPVXEZWWYZBHAR-JRQZPDGJSA-N
Inchi IDInChI=1S/C79H102N12O13/c1-49(2)40-66(78(104)91-39-21-31-68(91)77(103)82-50(3)69(80)95)89-74(100)63(43-53-24-13-9-14-25-53)85-70(96)60(30-19-20-38-81-48-79(5,6)7)84-72(98)65(45-55-33-36-59(94)37-34-55)88-76(102)67(47-92)90-75(101)64(44-54-26-15-10-16-27-54)87-73(99)62(42-52-22-11-8-12-23-52)86-71(97)61(83-51(4)93)46-56-32-35-57-28-17-18-29-58(57)41-56/h8-18,22-29,32-37,41,49-50,60-68,81,92,94H,19-21,30-31,38-40,42-48H2,1-7H3,(H2,80,95)(H,82,103)(H,83,93)(H,84,98)(H,85,96)(H,86,97)(H,87,99)(H,88,102)(H,89,100)(H,90,101)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68+/m0/s1
PubChem CID44376854
ChEMBLCHEMBL436705
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 activity91.0 %PMID2435906ChEMBL
ED500.19 ug ml-1PMID2435906ChEMBL

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