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 DMFold 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
SpeciesRattus norvegicus (Rat)
GeneNpy5r
Synonymfood intake receptor
neuropeptide Y receptor type 5
NPY-Y5 receptor
NPY5-R
NPYY5-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMEFKLEEHFNKTFVTENNTAAARNAAFPAWEDYRGSVDDLQYFLIGLYTFVSLLGFMGNLLILMAVMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKAMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELKETFGSALLSSKYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSHKENRLEENEMINLTLQPSKKSRNQAKTPSTQKWSYSFIRKHRRRYSKKTACVLPAPAGPSQGKHLAVPENPASVRSQLSPSSKVIPGVPICFEVKPEESSDAHEMRVKRSITRIKKRSRSVFYRLTILILVFAVSWMPLHVFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLRALIHCLHMS
UniProtQ63634
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2548
IUPHAR308
DrugBankN/A

Ligand

NameCHEMBL179972
Molecular formulaC28H27N3O4
IUPAC nameN-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
Molecular weight469.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50163525
N-(4-Benzoyl-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
SCHEMBL3382773
Inchi KeyHODVYAZVXJTHON-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32)
PubChem CID10096226
ChEMBLCHEMBL179972
IUPHARN/A
BindingDB50163525
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.6 nMPMID15771450BindingDB,ChEMBL

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