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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

NameCHEMBL123301
Molecular formulaC33H38N4O2
IUPAC name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]furan-2-carboxamide
Molecular weight522.693
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.6
SynonymsBDBM50121473
N-[4-(2-Pyrimidinylaminomethyl)benzyl]-5-(1,1,4,4,7-pentamethyltetralin-6-ylmethyl)furan-2-carboxamide
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-(pyrimidin-2-ylaminomethyl)-benzylamide
Inchi KeyBWHICKVEBDPGMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N4O2/c1-22-17-27-28(33(4,5)14-13-32(27,2)3)19-25(22)18-26-11-12-29(39-26)30(38)36-20-23-7-9-24(10-8-23)21-37-31-34-15-6-16-35-31/h6-12,15-17,19H,13-14,18,20-21H2,1-5H3,(H,36,38)(H,34,35,37)
PubChem CID21045834
ChEMBLCHEMBL123301
IUPHARN/A
BindingDB50121473
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki440.0 nMPMID12443792BindingDB,ChEMBL

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