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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

NameCHEMBL2369810
Molecular formulaC50H70N10O9
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight955.171
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP3.7
SynonymsBDBM50405771
Inchi KeyFIXWCPNAIBUKAR-FGWMCVOQSA-N
Inchi IDInChI=1S/C50H70N10O9/c1-6-53-48(68)42-17-11-25-60(42)49(69)37(16-10-24-54-50(51)52)56-44(64)38(26-30(2)3)57-45(65)39(27-31(4)5)58-46(66)40(28-32-18-21-35(62)22-19-32)59-47(67)41(29-61)55-43(63)23-20-34-14-9-13-33-12-7-8-15-36(33)34/h7-9,12-15,18-23,30-31,37-42,61-62H,6,10-11,16-17,24-29H2,1-5H3,(H,53,68)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H4,51,52,54)/b23-20+/t37-,38-,39+,40-,41-,42-/m0/s1
PubChem CID14557620
ChEMBLCHEMBL2369810
IUPHARN/A
BindingDB50405771
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd204.17 nMPMID2552116BindingDB,ChEMBL
Ki50.12 nMPMID2552116ChEMBL

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