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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

NameCHEMBL3982675
Molecular formulaC59H82N16O13
IUPAC name(2S)-2-[[(3S)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carbonyl]amino]-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-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-oxobutan-2-yl]butanediamide
Molecular weight1223.4
Hydrogen bond acceptor14
Hydrogen bond donor16
XlogP-0.3
SynonymsBDBM50196437
Inchi KeyAQWHKHMLNBUPJS-NZAHRQIBSA-N
Inchi IDInChI=1S/C59H82N16O13/c1-32(2)25-44(53(83)67-42(18-11-23-64-58(62)63-5)52(82)68-43(50(61)80)28-38-30-65-41-17-10-9-16-40(38)41)71-59(88)74-73-55(85)45(26-35-13-7-6-8-14-35)70-56(86)49(33(3)76)72-54(84)46(29-48(60)79)69-51(81)37-15-12-24-75(31-37)57(87)47(66-34(4)77)27-36-19-21-39(78)22-20-36/h6-10,13-14,16-17,19-22,30,32-33,37,42-47,49,65,76,78H,11-12,15,18,23-29,31H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,82)(H,69,81)(H,70,86)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,88)/t33-,37+,42+,43+,44+,45+,46+,47-,49+/m1/s1
PubChem CID134157735
ChEMBLCHEMBL3982675
IUPHARN/A
BindingDB50196437
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
EC505.5 nMPMID27589480BindingDB,ChEMBL

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