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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

NameCHEMBL120432
Molecular formulaC28H28ClN5O3
IUPAC name4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-2-oxo-N-pyrimidin-4-yl-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide
Molecular weight518.014
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
Synonyms4-((S)-2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide
BDBM50098391
N-(4-Pyrimidinyl)-2-oxo-3-(3,4,5-trimethylphenyl)-4-[2-[(2S)-azetidine-2alpha-yl]ethoxy]-7-chloro-1,2-dihydroquinoline-6-carboxamide
4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide
(S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(pyrimidin-4-yl)-3-(3,4,5-trimethylphenyl)-1,2-dihydroquinoline-6-carboxamide
Inchi KeyXESORVDKNANWAB-IBGZPJMESA-N
Inchi IDInChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
PubChem CID10649568
ChEMBLCHEMBL120432
IUPHARN/A
BindingDB50098391
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.4 nMPMID18419112ChEMBL
IC500.44 nMPMID15715483, PMID11300873, PMID15482932BindingDB,ChEMBL
IC500.5 nMPMID11300873BindingDB,ChEMBL
IC500.9 nMPMID15482932BindingDB,ChEMBL
IC501.0 nMPMID18419112, PMID11300873BindingDB,ChEMBL
IC507.0 nMPMID11300873BindingDB,ChEMBL
IC5060.0 nMPMID11300873BindingDB,ChEMBL
IC50350.0 nMPMID11300873BindingDB,ChEMBL
Ki0.4 nMPMID14505682BindingDB
Ki0.4 nMPMID14505682ChEMBL

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