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

NameG-protein coupled receptor 52
SpeciesHomo sapiens (Human)
GeneGPR52
SynonymGPR52
DiseaseN/A
Length361
Amino acid sequenceMNESRWTEWRILNMSSGIVNVSERHSCPLGFGHYSVVDVCIFETVVIVLLTFLIIAGNLTVIFVFHCAPLLHHYTTSYFIQTMAYADLFVGVSCLVPTLSLLHYSTGVHESLTCQVFGYIISVLKSVSMACLACISVDRYLAITKPLSYNQLVTPCRLRICIILIWIYSCLIFLPSFFGWGKPGYHGDIFEWCATSWLTSAYFTGFIVCLLYAPAAFVVCFTYFHIFKICRQHTKEINDRRARFPSHEVDSSRETGHSPDRRYAMVLFRITSVFYMLWLPYIIYFLLESSRVLDNPTLSFLTTWLAISNSFCNCVIYSLSNSVFRLGLRRLSETMCTSCMCVKDQEAQEPKPRKRANSCSI
UniProtQ9Y2T5
Protein Data BankN/A
GPCR-HGmod modelQ9Y2T5
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y2T5.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3297639
IUPHAR108
DrugBankN/A

Ligand

NameCHEMBL3299018
Molecular formulaC22H25N3O3
IUPAC nameN-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
Molecular weight379.46
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50022152
Inchi KeyLVPGUBUWHFHLFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N3O3/c1-15-16(7-10-20(27-3)21(15)28-4)11-13-23-22-24-14-12-19(25-22)17-5-8-18(26-2)9-6-17/h5-10,12,14H,11,13H2,1-4H3,(H,23,24,25)
PubChem CID90645440
ChEMBLN/A
IUPHARN/A
BindingDB50022152
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50>10000.0 nMPMID24884590BindingDB

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