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

NameCHEMBL42747
Molecular formulaC30H35N5O3
IUPAC nameN-[5-(diaminomethylideneamino)-1-(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-oxopentan-2-yl]-2,2-diphenylacetamide
Molecular weight513.642
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.1
SynonymsBDBM50090277
N-[4-Guanidino-1-(7-hydroxy-1,3,4,5-tetrahydro-benzo[c]azepine-2-carbonyl)-butyl]-2,2-diphenyl-acetamide
Inchi KeyAPXQNCYYJXLPGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35N5O3/c31-30(32)33-17-7-14-26(29(38)35-18-8-13-23-19-25(36)16-15-24(23)20-35)34-28(37)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26-27,36H,7-8,13-14,17-18,20H2,(H,34,37)(H4,31,32,33)
PubChem CID44288067
ChEMBLCHEMBL42747
IUPHARN/A
BindingDB50090277
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5025000.0 nMPMID10915060BindingDB,ChEMBL

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