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

NameBDBM61808
Molecular formulaC22H21N3O5
IUPAC name2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitrophenyl]-4,7-dihydroisoindole-1,3-diol
Molecular weight407.426
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.3
Synonyms2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
cid_12004459
2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone
Inchi KeyBZMXADDIAJHEFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N3O5/c26-16-8-5-14(6-9-16)11-12-23-19-10-7-15(13-20(19)25(29)30)24-21(27)17-3-1-2-4-18(17)22(24)28/h1-2,5-10,13,23,26-28H,3-4,11-12H2
PubChem CID91897493
ChEMBLN/A
IUPHARN/A
BindingDB61808
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<35430.0 nMN/ABindingDB

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