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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

NameMLS000569792
Molecular formulaC19H19N3OS
IUPAC nameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
Molecular weight337.441
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM61804
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
cid_2090677
ZINC8310552
AC1M18JK
[ Show all ]
Inchi KeyBRGWWSLTVYPNBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3OS/c23-18(11-9-10-11)22-19-16(12-5-1-4-8-15(12)24-19)17-20-13-6-2-3-7-14(13)21-17/h2-3,6-7,11H,1,4-5,8-10H2,(H,20,21)(H,22,23)
PubChem CID2090677
ChEMBLCHEMBL1378687
IUPHARN/A
BindingDB61804
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<35430.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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