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GPCR

NameKiSS-1 receptor
SpeciesHomo sapiens (Human)
GeneKISS1R
SynonymMetastin receptor
Kisspeptins receptor
kisspeptin receptor
KiSS1-derived peptide receptor
KiSS-1R
[ Show all ]
DiseaseProstate cancer
Length398
Amino acid sequenceMHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
UniProtQ969F8
Protein Data BankN/A
GPCR-HGmod modelQ969F8
3D structure modelThis predicted structure model is from GPCR-EXP Q969F8.
BioLiPN/A
Therapeutic Target DatabaseT39123
ChEMBLCHEMBL5413
IUPHAR266
DrugBankN/A

Ligand

NameCHEMBL1171104
Molecular formulaC29H26FN5O4
IUPAC nameN-[3-cyano-4-[3-[2-(ethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight527.556
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.8
SynonymsBDBM50322296
N-[3-Cyano-4-{3-[(N,N-diethylglycyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Inchi KeyAVCJOCSUKBWQLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H26FN5O4/c1-3-23(32-4-2)28(37)33-19-8-5-7-17(13-19)21-15-24(20-11-10-18(30)14-25(20)36)34-27(22(21)16-31)35-29(38)26-9-6-12-39-26/h5-15,23,32,36H,3-4H2,1-2H3,(H,33,37)(H,34,35,38)
PubChem CID136016491
ChEMBLCHEMBL1171104
IUPHARN/A
BindingDB50322296
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5030.0 nMPMID20580563BindingDB,ChEMBL

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