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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

NameCHEMBL1164673
Molecular formulaC24H18N4O2S
IUPAC nameN-[4-[3-(aminomethyl)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight426.494
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50320798
N-{4-[3-(Aminomethyl)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl}thiophene-2-carboxamide
SCHEMBL4205212
Inchi KeyFYLPUWQBUILPLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18N4O2S/c25-13-15-5-3-6-16(11-15)18-12-20(17-7-1-2-8-21(17)29)27-23(19(18)14-26)28-24(30)22-9-4-10-31-22/h1-12,29H,13,25H2,(H,27,28,30)
PubChem CID136016443
ChEMBLCHEMBL1164673
IUPHARN/A
BindingDB50320798
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50570.0 nMPMID20457527BindingDB,ChEMBL

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