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
SpeciesMus musculus (Mouse)
GeneNpy5r
Synonymfood intake receptor
neuropeptide Y receptor type 5
NPY-Y5 receptor
NPY5-R
NPYY5-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMEVKLEEHFNKTFVTENNTAASQNTASPAWEDYRGTENNTSAARNTAFPVWEDYRGSVDDLQYFLIGLYTFVSLLGFMGNLLILMAVMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKAMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELKETFGSALLSSKYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSHKENRLEENEMINLTLHPSKKSRDQAKPPSTQKWSYSFIRKHRRRYSKKTACVLPAPAGPSQEKHLTVPENPGSVRSQLSPSSKVIPGVPICFEVKPEESSDAQEMRVKRSLTRIKKRSRSVFYRLTILILVFAVSWMPLHVFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLRALIHCLHMS
UniProtO70342
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3802
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1956850
Molecular formulaC21H24FN3O4S
IUPAC nameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
Molecular weight433.498
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50365398
Inchi KeyHBBPRGGFGKQLJU-OKILXGFUSA-N
Inchi IDInChI=1S/C21H24FN3O4S/c1-4-30(26,27)16-6-8-20-18(10-16)24-21(29-20)23-15-5-7-19(17(22)9-15)25-11-13(2)28-14(3)12-25/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,24)/t13-,14+
PubChem CID57391275
ChEMBLCHEMBL1956850
IUPHARN/A
BindingDB50365398
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50155.0 nMPMID22300657BindingDB,ChEMBL

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