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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

NameCHEMBL217405
Molecular formulaC62H86N14O12
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2R)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight1219.46
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP2.6
SynonymsN/A
Inchi KeyKNKCPWNOPJALKV-OOJNOFERSA-N
Inchi IDInChI=1S/C62H86N14O12/c1-6-65-60(87)51-19-13-27-76(51)61(88)44(18-12-26-66-62(63)64)69-54(81)45(28-35(2)3)70-55(82)46(29-36(4)5)71-56(83)48(31-38-20-22-40(78)23-21-38)73-59(86)50(34-77)75-58(85)49(32-39-33-67-42-17-11-10-16-41(39)42)74-57(84)47(30-37-14-8-7-9-15-37)72-53(80)43-24-25-52(79)68-43/h7-11,14-17,20-23,33,35-36,43-51,67,77-78H,6,12-13,18-19,24-32,34H2,1-5H3,(H,65,87)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,85)(H4,63,64,66)/t43-,44-,45-,46+,47-,48-,49-,50-,51+/m0/s1
PubChem CID44350488
ChEMBLCHEMBL217405
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.188 nMPMID1433199ChEMBL

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