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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesRattus norvegicus (Rat)
GeneGnrhr
Synonymluteinizing hormone-releasing hormone (LHRH) receptor
luliberin receptor
LHRHR
LHRH receptor
GNRHR1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length327
Amino acid sequenceMANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtP30969
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3066
IUPHAR256
DrugBankN/A

Ligand

NameCHEMBL401418
Molecular formulaC37H54N6O2S
IUPAC name1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(2-hydroxy-3-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one
Molecular weight646.939
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50225081
SCHEMBL4375122
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-hydroxy-3-(piperazin-1-yl)propyl)piperazin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
Inchi KeyAGZBTOKWUUPEBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3
PubChem CID44444649
ChEMBLCHEMBL401418
IUPHARN/A
BindingDB50225081
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5055.0 nMPMID17937987BindingDB,ChEMBL

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