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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

NameCHEMBL1164939
Molecular formulaC27H23N5O3S
IUPAC nameN-[4-[3-(4-aminobutanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight497.573
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.8
SynonymsBDBM50320802
N-[4-{3-[(4-Aminobutanoyl)amino]phenyl}-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
SCHEMBL13801676
Inchi KeyFPOGTNUPLKGKAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O3S/c28-12-4-11-25(34)30-18-7-3-6-17(14-18)20-15-22(19-8-1-2-9-23(19)33)31-26(21(20)16-29)32-27(35)24-10-5-13-36-24/h1-3,5-10,13-15,33H,4,11-12,28H2,(H,30,34)(H,31,32,35)
PubChem CID136016360
ChEMBLCHEMBL1164939
IUPHARN/A
BindingDB50320802
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5034.0 nMPMID20457527BindingDB,ChEMBL
IC501400.0 nMPMID20457527BindingDB,ChEMBL

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