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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

NameCHEMBL226537
Molecular formulaC41H52N10O9
IUPAC nameN-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3,4,5-trihydroxybenzamide
Molecular weight828.928
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP1.2
SynonymsBDBM50216065
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-[(3,4,5-trihydroxyphenyl)formamido]propanamido]acetamido}pentanamide
Inchi KeyBDRNPRXVBPXHAU-ORYMTKCHSA-N
Inchi IDInChI=1S/C41H52N10O9/c1-22(2)15-30(48-34(54)21-47-38(58)31(16-23-9-4-3-5-10-23)51-37(57)24-18-32(52)35(55)33(53)19-24)40(60)49-28(13-8-14-45-41(43)44)39(59)50-29(36(42)56)17-25-20-46-27-12-7-6-11-26(25)27/h3-7,9-12,18-20,22,28-31,46,52-53,55H,8,13-17,21H2,1-2H3,(H2,42,56)(H,47,58)(H,48,54)(H,49,60)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29-,30-,31-/m0/s1
PubChem CID16735567
ChEMBLCHEMBL226537
IUPHARN/A
BindingDB50216065
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
Activity1.0 %PMID17579384ChEMBL
EC50<100.0 nMPMID17579384BindingDB,ChEMBL

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