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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

NameCHEMBL1169893
Molecular formulaC27H23N5O3S
IUPAC nameN-[3-cyano-4-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight497.573
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.5
SynonymsBDBM50322315
N-(3-cyano-4-(3-(2-(dimethylamino)acetamido)phenyl)-6-(2-hydroxyphenyl)pyridin-2-yl)thiophene-2-carboxamide
SCHEMBL4208475
Inchi KeyDPBXXZXVCPSJJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O3S/c1-32(2)16-25(34)29-18-8-5-7-17(13-18)20-14-22(19-9-3-4-10-23(19)33)30-26(21(20)15-28)31-27(35)24-11-6-12-36-24/h3-14,33H,16H2,1-2H3,(H,29,34)(H,30,31,35)
PubChem CID136016471
ChEMBLCHEMBL1169893
IUPHARN/A
BindingDB50322315
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50180.0 nMPMID20580563BindingDB,ChEMBL

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