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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

NameCHEMBL130607
Molecular formulaC34H31F2N5O4
IUPAC nameethyl 8-cyano-1-[(2,6-difluorophenyl)methyl]-7-(4-methoxyphenyl)-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
Molecular weight611.65
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.1
Synonyms8-Cyano-1-(2,6-difluoro-benzyl)-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
1-(2,6-Difluorobenzyl)-4-oxo-6-[methyl[2-(2-pyridinyl)ethyl]aminomethyl]-7-(4-methoxyphenyl)-8-cyano-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
BDBM50109214
Inchi KeyAEDNDIPRPKKLJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H31F2N5O4/c1-4-45-34(43)27-20-40(19-26-28(35)9-7-10-29(26)36)32-25(18-37)31(22-11-13-24(44-3)14-12-22)30(41(32)33(27)42)21-39(2)17-15-23-8-5-6-16-38-23/h5-14,16,20H,4,15,17,19,21H2,1-3H3
PubChem CID44352801
ChEMBLCHEMBL130607
IUPHARN/A
BindingDB50109214
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
Ki2000.0 nMPMID11814806BindingDB,ChEMBL

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