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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

NameCHEMBL413879
Molecular formulaC89H102N12O15
IUPAC name9H-fluoren-9-ylmethyl N-[(5S)-5-[[(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-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexyl]carbamate
Molecular weight1579.86
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP9.6
SynonymsN/A
Inchi KeyNKCRLRPIHAPPJK-GUKXHRDZSA-N
Inchi IDInChI=1S/C89H102N12O15/c1-54(2)45-76(88(114)101-44-22-36-78(101)87(113)92-55(3)79(90)105)99-84(110)73(48-58-25-10-6-11-26-58)95-80(106)70(35-20-21-43-91-89(115)116-53-69-67-33-18-16-31-65(67)66-32-17-19-34-68(66)69)94-82(108)75(50-60-38-41-64(104)42-39-60)98-86(112)77(52-102)100-85(111)74(49-59-27-12-7-13-28-59)97-83(109)72(47-57-23-8-5-9-24-57)96-81(107)71(93-56(4)103)51-61-37-40-62-29-14-15-30-63(62)46-61/h5-19,23-34,37-42,46,54-55,69-78,102,104H,20-22,35-36,43-45,47-53H2,1-4H3,(H2,90,105)(H,91,115)(H,92,113)(H,93,103)(H,94,108)(H,95,106)(H,96,107)(H,97,109)(H,98,112)(H,99,110)(H,100,111)/t55-,70-,71-,72-,73-,74-,75-,76-,77-,78+/m0/s1
PubChem CID44377046
ChEMBLCHEMBL413879
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 activity22.0 %PMID2435906ChEMBL
ED501.0 ug ml-1PMID2435906ChEMBL

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