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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

NameCHEMBL146116
Molecular formulaC27H34ClN3O3
IUPAC name4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanoic acid
Molecular weight484.037
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50069422
SCHEMBL7689723
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyric acid
Inchi KeyBABZOVBGVDCTOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34ClN3O3/c1-20-5-2-7-24-27(20)29-25(19-34-23-11-9-22(28)10-12-23)31(24)16-3-6-21-13-17-30(18-14-21)15-4-8-26(32)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H,32,33)
PubChem CID21188477
ChEMBLCHEMBL146116
IUPHARN/A
BindingDB50069422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1630.0 nMPMID9871601BindingDB,ChEMBL

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