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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

NameCHEMBL2369793
Molecular formulaC52H69N11O10
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1008.19
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP2.8
SynonymsBDBM50452578
Inchi KeyHXFNFYNLVICVMK-KPTJZOQMSA-N
Inchi IDInChI=1S/C52H69N11O10/c1-5-55-50(71)44-13-9-25-63(44)51(72)39(12-8-24-56-52(53)54)59-46(67)40(26-31(2)3)60-48(69)42(28-34-29-57-38-11-7-6-10-37(34)38)62-47(68)41(27-33-14-19-35(65)20-15-33)61-49(70)43(30-64)58-45(66)23-18-32-16-21-36(73-4)22-17-32/h6-7,10-11,14-23,29,31,39-44,57,64-65H,5,8-9,12-13,24-28,30H2,1-4H3,(H,55,71)(H,58,66)(H,59,67)(H,60,69)(H,61,70)(H,62,68)(H4,53,54,56)/b23-18+/t39-,40-,41-,42+,43-,44-/m0/s1
PubChem CID14557624
ChEMBLCHEMBL2369793
IUPHARN/A
BindingDB50452578
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.

Experimental Data

ParameterValueReferenceDatabase source
Kd346.74 nMPMID2552116ChEMBL
Kd347.0 nMPMID2552116BindingDB
Ki158.49 nMPMID2552116ChEMBL

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