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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

NameCHEMBL439880
Molecular formulaC81H106N12O13
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-(heptan-4-ylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1455.81
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP8.9
SynonymsN/A
Inchi KeyTZBYYPYYBHJWBB-OQTVMXKLSA-N
Inchi IDInChI=1S/C81H106N12O13/c1-7-23-61(24-8-2)83-41-21-20-33-63(73(98)87-66(46-55-27-14-10-15-28-55)77(102)91-69(43-51(3)4)81(106)93-42-22-34-71(93)80(105)84-52(5)72(82)97)86-75(100)68(48-57-36-39-62(96)40-37-57)90-79(104)70(50-94)92-78(103)67(47-56-29-16-11-17-30-56)89-76(101)65(45-54-25-12-9-13-26-54)88-74(99)64(85-53(6)95)49-58-35-38-59-31-18-19-32-60(59)44-58/h9-19,25-32,35-40,44,51-52,61,63-71,83,94,96H,7-8,20-24,33-34,41-43,45-50H2,1-6H3,(H2,82,97)(H,84,105)(H,85,95)(H,86,100)(H,87,98)(H,88,99)(H,89,101)(H,90,104)(H,91,102)(H,92,103)/t52-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1
PubChem CID44376791
ChEMBLCHEMBL439880
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 activity50.0 %PMID2435906ChEMBL
ED500.56 ug ml-1PMID2435906ChEMBL

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