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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

NameCHEMBL1163808
Molecular formulaC31H29N5O4
IUPAC nameN-[4-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]-2-methoxybenzamide
Molecular weight535.604
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.1
SynonymsBDBM50320819
N-(4-(3-(1-amino-2-methylpropan-2-ylcarbamoyl)phenyl)-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl)-2-methoxybenzamide
Inchi KeyBPMGVPIXHROSEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29N5O4/c1-31(2,18-33)36-29(38)20-10-8-9-19(15-20)23-16-25(21-11-4-6-13-26(21)37)34-28(24(23)17-32)35-30(39)22-12-5-7-14-27(22)40-3/h4-16,37H,18,33H2,1-3H3,(H,36,38)(H,34,35,39)
PubChem CID136016399
ChEMBLCHEMBL1163808
IUPHARN/A
BindingDB50320819
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5032.0 nMPMID20457527BindingDB,ChEMBL

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