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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesHomo sapiens (Human)
GeneGNRHR
SynonymLHRHR
GnRH I receptor
Type I GnRHR
gnRH receptor
GnRH-R
[ Show all ]
DiseaseUterine leiomyoma
Hypothalamic hypogonadism
Ovulation
Prostate cancer
Prostate disease
[ Show all ]
Length328
Amino acid sequenceMANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtP30968
Protein Data BankN/A
GPCR-HGmod modelP30968
3D structure modelThis predicted structure model is from GPCR-EXP P30968.
BioLiPN/A
Therapeutic Target DatabaseT12475
ChEMBLCHEMBL1855
IUPHAR256
DrugBankBE0000203

Ligand

NameCHEMBL175711
Molecular formulaC26H21F5N4O4
IUPAC name1-[(2R)-2-amino-2-phenylethyl]-3-(2-fluoro-3-methoxyphenyl)-5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,3,5-triazinane-2,4,6-trione
Molecular weight548.47
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50168700
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-fluoro-6-trifluoromethyl-benzyl)-[1,3,5]triazinane-2,4,6-trione
Inchi KeyAVTHMVNRODCACK-IBGZPJMESA-N
Inchi IDInChI=1S/C26H21F5N4O4/c1-39-21-12-6-11-20(22(21)28)35-24(37)33(13-16-17(26(29,30)31)9-5-10-18(16)27)23(36)34(25(35)38)14-19(32)15-7-3-2-4-8-15/h2-12,19H,13-14,32H2,1H3/t19-/m0/s1
PubChem CID44387977
ChEMBLCHEMBL175711
IUPHARN/A
BindingDB50168700
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.0 nMPMID15951171BindingDB,ChEMBL

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