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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

NameCHEMBL389262
Molecular formulaC40H59N11O6
IUPAC name(2S)-2-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Molecular weight789.983
Hydrogen bond acceptor8
Hydrogen bond donor10
XlogP0.7
SynonymsN/A
Inchi KeyDYCQFAIHLRYOPA-YRCZKMHPSA-N
Inchi IDInChI=1S/C40H59N11O6/c1-25(2)20-32(49-35(53)24-47-37(55)33(21-26-12-5-3-6-13-26)48-34(52)17-7-4-10-18-41)39(57)50-30(16-11-19-45-40(43)44)38(56)51-31(36(42)54)22-27-23-46-29-15-9-8-14-28(27)29/h3,5-6,8-9,12-15,23,25,30-33,46H,4,7,10-11,16-22,24,41H2,1-2H3,(H2,42,54)(H,47,55)(H,48,52)(H,49,53)(H,50,57)(H,51,56)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1
PubChem CID16735510
ChEMBLCHEMBL389262
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity1.6 %PMID17579384ChEMBL

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