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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameLutropin-choriogonadotropic hormone receptor
SpeciesHomo sapiens (Human)
GeneLHCGR
Synonymlutropin-choriogonadotropic hormone receptor
Luteinizing hormone receptor
LSH-R
LHR
LH/CG-R
[ Show all ]
DiseaseHeart disease
Breast cancer
Cancer
Myelodysplastic syndrome
Female infertility
[ Show all ]
Length699
Amino acid sequenceMKQRFSALQLLKLLLLLQPPLPRALREALCPEPCNCVPDGALRCPGPTAGLTRLSLAYLPVKVIPSQAFRGLNEVIKIEISQIDSLERIEANAFDNLLNLSEILIQNTKNLRYIEPGAFINLPRLKYLSICNTGIRKFPDVTKVFSSESNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLTSLELKENVHLEKMHNGAFRGATGPKTLDISSTKLQALPSYGLESIQRLIATSSYSLKKLPSRETFVNLLEATLTYPSHCCAFRNLPTKEQNFSHSISENFSKQCESTVRKVNNKTLYSSMLAESELSGWDYEYGFCLPKTPRCAPEPDAFNPCEDIMGYDFLRVLIWLINILAIMGNMTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCSTAGFFTVFASELSVYTLTVITLERWHTITYAIHLDQKLRLRHAILIMLGGWLFSSLIAMLPLVGVSNYMKVSICFPMDVETTLSQVYILTILILNVVAFFIICACYIKIYFAVRNPELMATNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKVLLVLFYPINSCANPFLYAIFTKTFQRDFFLLLSKFGCCKRRAELYRRKDFSAYTSNCKNGFTGSNKPSQSTLKLSTLHCQGTALLDKTRYTEC
UniProtP22888
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT79473
ChEMBLCHEMBL1854
IUPHARN/A
DrugBankBE0000134

Ligand

NameSMR000131285
Molecular formulaC23H20ClN3O2S
IUPAC name(E)-3-[(4-chlorophenyl)methylsulfanyl]-2-cyano-N-(furan-2-ylmethyl)-3-(2-methylanilino)prop-2-enamide
Molecular weight437.942
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsMLS002588642
HMS663C07
ZINC3058889
(2E)-3-[(4-chlorobenzyl)thio]-2-cyano-N-(2-furylmethyl)-3-[(2-methylphenyl)amino]acrylamide
MolPort-007-916-230
[ Show all ]
Inchi KeyKMKVIZIVVPUGGP-BSYVCWPDSA-N
Inchi IDInChI=1S/C23H20ClN3O2S/c1-16-5-2-3-7-21(16)27-23(30-15-17-8-10-18(24)11-9-17)20(13-25)22(28)26-14-19-6-4-12-29-19/h2-12,27H,14-15H2,1H3,(H,26,28)/b23-20+
PubChem CID9551202
ChEMBLCHEMBL1541531
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency301313.0 nMPubChem BioAssay data setChEMBL

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