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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

NameCHEMBL1165103
Molecular formulaC27H23N5O4S
IUPAC nameN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-5-methoxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight513.572
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.9
SynonymsBDBM50320809
N-{4-[3-(beta-Alanylamino)phenyl]-3-cyano-6-(2-hydroxy-5-methoxyphenyl)pyridin-2-yl}thiophene-2-carboxamide
SCHEMBL5014978
Inchi KeyCGZSJAAFOJXVJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23N5O4S/c1-36-18-7-8-23(33)20(13-18)22-14-19(16-4-2-5-17(12-16)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-37-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35)
PubChem CID136016379
ChEMBLCHEMBL1165103
IUPHARN/A
BindingDB50320809
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50480.0 nMPMID20457527BindingDB,ChEMBL

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