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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

NameCHEMBL372316
Molecular formulaC24H31N5O4S
IUPAC name1-tert-butyl-3-[1-butyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]urea
Molecular weight485.603
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50165539
1-tert-Butyl-3-[1-butyl-2-(2-methoxy-5-nitro-benzylsulfanyl)-1H-benzoimidazol-5-yl]-urea
Inchi KeyAKCDWELULNEIRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N5O4S/c1-6-7-12-28-20-10-8-17(25-22(30)27-24(2,3)4)14-19(20)26-23(28)34-15-16-13-18(29(31)32)9-11-21(16)33-5/h8-11,13-14H,6-7,12,15H2,1-5H3,(H2,25,27,30)
PubChem CID44402471
ChEMBLCHEMBL372316
IUPHARN/A
BindingDB50165539
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5023.0 nMPMID15837306BindingDB,ChEMBL

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