Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

You can:

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

NameCHEMBL3104125
Molecular formulaC27H34FN5O2
IUPAC name2-ethyl-N-[4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
Molecular weight479.6
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsAMPRKYXQMPOVTC-UHFFFAOYSA-N
2-ethyl-N-(4-{4-[(3-ethyl-[1,2,4]-oxadiazol-5-yl)-phenyl-methyl]-piperazin-1-yl}-3-fluoro-phenyl)-butyramide
BDBM50445657
SCHEMBL6115578
Inchi KeyAMPRKYXQMPOVTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34FN5O2/c1-4-19(5-2)26(34)29-21-12-13-23(22(28)18-21)32-14-16-33(17-15-32)25(20-10-8-7-9-11-20)27-30-24(6-3)31-35-27/h7-13,18-19,25H,4-6,14-17H2,1-3H3,(H,29,34)
PubChem CID69670211
ChEMBLCHEMBL3104125
IUPHARN/A
BindingDB50445657
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nMPMID24365162BindingDB,ChEMBL
pKb7.45 -PMID24365162ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218