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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameNeuropeptide Y receptor type 2
SpeciesHomo sapiens (Human)
GeneNPY2R
SynonymNPY2-R
NPY-Y2 receptor
neuropeptide Y receptor type 2
Y2 receptor
DiseaseDiabetes
Metabolic disorders
Obesity
Length381
Amino acid sequenceMGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProtP49146
Protein Data BankN/A
GPCR-HGmod modelP49146
3D structure modelThis predicted structure model is from GPCR-EXP P49146.
BioLiPN/A
Therapeutic Target DatabaseT10670
ChEMBLCHEMBL4018
IUPHAR306
DrugBankBE0002419

Ligand

NameCHEMBL279236
Molecular formulaC30H31N3O2
IUPAC name(E)-N-(1-benzylpiperidin-4-yl)-N-(1-formyl-2,3-dihydroindol-6-yl)-3-phenylprop-2-enamide
Molecular weight465.597
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.9
SynonymsSCHEMBL4840416
BDBM50140500
SCHEMBL4840408
(E)-N-(1-Benzyl-piperidin-4-yl)-N-(1-formyl-2,3-dihydro-1H-indol-6-yl)-3-phenyl-acrylamide
Inchi KeyCBKJVXIOSUFELA-SDNWHVSQSA-N
Inchi IDInChI=1S/C30H31N3O2/c34-23-32-20-15-26-12-13-28(21-29(26)32)33(30(35)14-11-24-7-3-1-4-8-24)27-16-18-31(19-17-27)22-25-9-5-2-6-10-25/h1-14,21,23,27H,15-20,22H2/b14-11+
PubChem CID11236647
ChEMBLCHEMBL279236
IUPHARN/A
BindingDB50140500
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503500.0 nMPMID14980673, PMID24365162BindingDB,ChEMBL

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