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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

NameCHEMBL1171296
Molecular formulaC30H26FN5O4
IUPAC nameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]pyridin-2-yl]furan-2-carboxamide
Molecular weight539.567
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50322297
N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(pyrrolidin-1-ylacetyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide
SCHEMBL13801964
Inchi KeyBUCTUHCCKBUAHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39)
PubChem CID136016492
ChEMBLCHEMBL1171296
IUPHARN/A
BindingDB50322297
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015.0 nMPMID20580563BindingDB,ChEMBL

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