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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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 5
SpeciesHomo sapiens (Human)
GeneNPY5R
SynonymNPYY5-R
NPY5-R
NPY-Y5 receptor
neuropeptide Y receptor type 5
food intake receptor
[ Show all ]
DiseaseEating disorder; Obesity
Eating disorder; Obesity; Diabetes
Major depressive disorder
Obesity
Length445
Amino acid sequenceMDLELDEYYNKTLATENNTAATRNSDFPVWDDYKSSVDDLQYFLIGLYTFVSLLGFMGNLLILMALMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKVMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELQETFGSALLSSRYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSNKENRLEENEMINLTLHPSKKSGPQVKLSGSHKWSYSFIKKHRRRYSKKTACVLPAPERPSQENHSRILPENFGSVRSQLSSSSKFIPGVPTCFEIKPEENSDVHELRVKRSVTRIKKRSRSVFYRLTILILVFAVSWMPLHLFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLVSLIHCLHM
UniProtQ15761
Protein Data BankN/A
GPCR-HGmod modelQ15761
3D structure modelThis predicted structure model is from GPCR-EXP Q15761.
BioLiPN/A
Therapeutic Target DatabaseT20331
ChEMBLCHEMBL4561
IUPHAR308
DrugBankN/A

Ligand

NameCHEMBL312739
Molecular formulaC24H26N2O2
IUPAC name3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
Molecular weight374.484
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.3
Synonyms1-[(1R,2S)-2-Phenyl-2-hydroxy-1-methylethyl]-1-methyl-3-(4-benzylphenyl)urea
Inchi KeyBQUANDATTWVMSL-WZONZLPQSA-N
Inchi IDInChI=1S/C24H26N2O2/c1-18(23(27)21-11-7-4-8-12-21)26(2)24(28)25-22-15-13-20(14-16-22)17-19-9-5-3-6-10-19/h3-16,18,23,27H,17H2,1-2H3,(H,25,28)/t18-,23-/m1/s1
PubChem CID11760542
ChEMBLCHEMBL312739
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50>0.1 nMPMID11428928ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417