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 2
SpeciesHomo sapiens (Human)
GeneNPY2R
SynonymNPY2-R
NPY-Y2 receptor
neuropeptide Y receptor type 2
Y2 receptor
DiseaseDiabetes
Metabolic disorders
Obesity
Length381
Amino acid sequenceMGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProtP49146
Protein Data BankN/A
GPCR-HGmod modelP49146
3D structure modelThis predicted structure model is from GPCR-EXP P49146.
BioLiPN/A
Therapeutic Target DatabaseT10670
ChEMBLCHEMBL4018
IUPHAR306
DrugBankBE0002419

Ligand

NameCHEMBL331202
Molecular formulaC28H32ClN3O3
IUPAC name1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethane-1,2-dione
Molecular weight494.032
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsGMNSKOPBGHCMQS-UHFFFAOYSA-N
1-[1-Methyl-2-[(4-chlorophenoxy)methyl]-1H-indol-3-yl]-2-(1,4'-bipiperidin-1'-yl)-1,2-ethanedione
1-methyl-2-(4-chlorophenoxymethyl)-3-[2-[4-(piperidin-1-yl)piperidin-1-yl]-1,2-ethanedionyl]-1H-indole
SCHEMBL7963164
1-[1,4'']Bipiperidinyl-1''-yl-2-[2-(4-chloro-phenoxymethyl)-1-methyl-1H-indol-3-yl]-ethane-1,2-dione
[ Show all ]
Inchi KeyGMNSKOPBGHCMQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32ClN3O3/c1-30-24-8-4-3-7-23(24)26(25(30)19-35-22-11-9-20(29)10-12-22)27(33)28(34)32-17-13-21(14-18-32)31-15-5-2-6-16-31/h3-4,7-12,21H,2,5-6,13-19H2,1H3
PubChem CID10625004
ChEMBLCHEMBL331202
IUPHARN/A
BindingDB50060723
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID9371234BindingDB,ChEMBL

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