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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

NameCHEMBL1172940
Molecular formulaC28H24FN5O3
IUPAC nameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-yl]furan-2-carboxamide
Molecular weight497.53
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50322301
N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-yl}furan-2-carboxamide
SCHEMBL13802113
Inchi KeyHKKZYFOWBDIXIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)
PubChem CID136016518
ChEMBLCHEMBL1172940
IUPHARN/A
BindingDB50322301
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015.0 nMPMID20580563BindingDB,ChEMBL

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