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

NameCHEMBL2440903
Molecular formulaC41H56N12O7
IUPAC nameN-[2-(3-aminopropanoylamino)ethyl]-N'-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]butanediamide
Molecular weight828.976
Hydrogen bond acceptor9
Hydrogen bond donor11
XlogP-1.2
SynonymsCHEMBL3040703
BDBM50442567
Inchi KeyATEJRZJDBYFLLU-YTTGMZPUSA-N
Inchi IDInChI=1S/C41H56N12O7/c42-20-19-35(56)47-23-22-45-33(54)17-18-34(55)46-24-25-49-41(60)53-39(43)48-21-7-12-32(37(57)50-26-28-13-15-29(16-14-28)27-51-40(44)59)52-38(58)36(30-8-3-1-4-9-30)31-10-5-2-6-11-31/h1-6,8-11,13-16,32,36H,7,12,17-27,42H2,(H,45,54)(H,46,55)(H,47,56)(H,50,57)(H,52,58)(H3,44,51,59)(H4,43,48,49,53,60)/t32-/m0/s1
PubChem CID73354092
ChEMBLN/A
IUPHARN/A
BindingDB50442567
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID24074877BindingDB

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