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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

NameCHEMBL549699
Molecular formulaC18H24N6OS
IUPAC name2-[[4-morpholin-4-yl-6-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]amino]acetonitrile
Molecular weight372.491
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsSCHEMBL963098
2-(4-morpholino-6-((1,4,5-trimethyl-1H-imidazol-2-ylthio)methyl)pyridin-2-ylamino)acetonitrile
BDBM50296000
Inchi KeyBVDPSUAZHYUEMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N6OS/c1-13-14(2)23(3)18(21-13)26-12-15-10-16(24-6-8-25-9-7-24)11-17(22-15)20-5-4-19/h10-11H,5-9,12H2,1-3H3,(H,20,22)
PubChem CID44229544
ChEMBLCHEMBL549699
IUPHARN/A
BindingDB50296000
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5038000.0 nMPMID19487123BindingDB,ChEMBL

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