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GPCR

NameKiSS-1 receptor
SpeciesRattus norvegicus (Rat)
GeneKiss1r
SynonymMetastin receptor
Kisspeptins receptor
kisspeptin receptor
KiSS1-derived peptide receptor
KiSS-1R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length396
Amino acid sequenceMAAEATLGPNVSWWAPSNASGCPGCGVNASDGPGSAPRPLDAWLVPLFFAALMLLGLVGNSLVIFVICRHKHMQTVTNFYIANLAATDVTFLLCCVPFTALLYPLPTWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALTVSLSIWVGSAAVSAPVLALHRLSPGPHTYCSEAFPSRALERAFALYNLLALYLLPLLATCACYGAMLRHLGRAAVRPAPTDGALQGQLLAQRAGAVRTKVSRLVAAVVLLFAACWGPIQLFLVLQALGPSGAWHPRSYAAYALKIWAHCMSYSNSALNPLLYAFLGSHFRQAFCRVCPCGPQRQRRPHASAHSDRAAPHSVPHSRAAHPVRVRTPEPGNPVRRSPSVQDEHTAPL
UniProtQ924U1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1169599
IUPHAR266
DrugBankN/A

Ligand

NameCID 72711590
Molecular formulaC65H85N19O13
IUPAC name(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide
Molecular weight1340.52
Hydrogen bond acceptor16
Hydrogen bond donor20
XlogP0.2
SynonymsN/A
Inchi KeyQMACIFNEBPWPTR-VTPUJHFRSA-N
Inchi IDInChI=1S/C65H85N19O13/c1-36(2)25-48(58(91)75-46(19-12-24-72-64(69)70-3)57(90)76-47(55(68)88)27-37-13-6-4-7-14-37)82-65(97)84-83-63(96)49(28-38-15-8-5-9-16-38)78-62(95)53(34-85)81-61(94)52(31-54(67)87)80-59(92)50(29-40-32-73-45-18-11-10-17-43(40)45)79-60(93)51(30-41-33-71-35-74-41)77-56(89)44(66)26-39-20-22-42(86)23-21-39/h4-11,13-18,20-23,32-33,35-36,44,46-53,73,85-86H,12,19,24-31,34,66H2,1-3H3,(H2,67,87)(H2,68,88)(H,71,74)(H,75,91)(H,76,90)(H,77,89)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H,83,96)(H3,69,70,72)(H2,82,84,97)/t44-,46+,47+,48+,49+,50+,51-,52+,53+/m1/s1
PubChem CID72711590
ChEMBLCHEMBL3087927
IUPHARN/A
BindingDB50442966
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.043 nMPMID24047141BindingDB
Ki0.043 nMPMID24047141ChEMBL

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