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GPCR

NameNeuropeptide Y receptor type 1
SpeciesHomo sapiens (Human)
GeneNPY1R
Synonymneuropeptide Y receptor type 1
NPY-Y1 receptor
NPY1-R
FC5
Y1 receptor
[ Show all ]
DiseaseHypertension; Obesity; Heart disease
Obesity
Eating disorders reduction in food intake obesity anxiety
Eating disorders reduction in food intake
Eating disorder
[ Show all ]
Length384
Amino acid sequenceMNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProtP25929
Protein Data Bank5zbh
GPCR-HGmod modelP25929
3D structure modelThis structure is from PDB ID 5zbh.
BioLiPBL0411971
Therapeutic Target DatabaseT89213
ChEMBLCHEMBL4777
IUPHAR305
DrugBankN/A

Ligand

NameCHEMBL491930
Molecular formulaC23H20N4O3
IUPAC name3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
Molecular weight400.438
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsMKVJQAZEXGSAIT-UHFFFAOYSA-N
3-oxo-N-(5-phenylpyrazin-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-carboxamide
SPIRO[ISOBENZOFURAN-1(3H),4'-PIPERIDINE]-1'-CARBOXAMIDE, 3-OXO-N-(5-PHENYL-2-PYRAZINYL)-
BDBM50249869
3-oxo-N-(5-phenyl-2-pyrazinyl)-spiro[isobenzofuran-1(3H),4'-piperidine]-1'-carboxamide
[ Show all ]
Inchi KeyMKVJQAZEXGSAIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N4O3/c28-21-17-8-4-5-9-18(17)23(30-21)10-12-27(13-11-23)22(29)26-20-15-24-19(14-25-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,25,26,29)
PubChem CID9887225
ChEMBLCHEMBL491930
IUPHARN/A
BindingDB50249869
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19464889BindingDB,ChEMBL

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