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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

NameCHEMBL584908
Molecular formulaC21H24FN5O2S
IUPAC name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-[(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylpyridin-2-amine
Molecular weight429.514
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.4
Synonyms6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((2-fluoropyridin-4-yl)methyl)-4-morpholinopyridin-2-amine
BDBM50301196
Inchi KeyARPJRPKFOVZWOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-10-18(27-5-7-28-8-6-27)11-20(26-17)24-12-16-3-4-23-19(22)9-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,26)
PubChem CID45487514
ChEMBLCHEMBL584908
IUPHARN/A
BindingDB50301196
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.2 nMPMID19640706BindingDB,ChEMBL

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