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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

NameCHEMBL413661
Molecular formulaC85H100N12O13
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-(naphthalen-2-ylmethylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1497.81
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP9.0
SynonymsN/A
Inchi KeyCMJFXNMVVYYDHS-JNWPDGOISA-N
Inchi IDInChI=1S/C85H100N12O13/c1-53(2)43-73(85(110)97-42-20-32-75(97)84(109)88-54(3)76(86)101)95-81(106)70(47-57-23-10-6-11-24-57)91-77(102)67(31-18-19-41-87-51-61-34-38-63-28-15-17-30-65(63)45-61)90-79(104)72(49-59-35-39-66(100)40-36-59)94-83(108)74(52-98)96-82(107)71(48-58-25-12-7-13-26-58)93-80(105)69(46-56-21-8-5-9-22-56)92-78(103)68(89-55(4)99)50-60-33-37-62-27-14-16-29-64(62)44-60/h5-17,21-30,33-40,44-45,53-54,67-75,87,98,100H,18-20,31-32,41-43,46-52H2,1-4H3,(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)/t54-,67-,68-,69-,70-,71-,72-,73-,74-,75+/m0/s1
PubChem CID44376759
ChEMBLCHEMBL413661
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 activity0.0 %PMID2435906ChEMBL
ED500.68 ug ml-1PMID2435906ChEMBL

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