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

NameCHEMBL3299123
Molecular formulaC24H20F3N3O2
IUPAC nameN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
Molecular weight439.438
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL3207056
BDBM50022159
Inchi KeyVFSYFJTWZMHGLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)
PubChem CID59193828
ChEMBLCHEMBL3299123
IUPHARN/A
BindingDB50022159
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5038.9 nMPMID24884590ChEMBL
EC5039.0 nMPMID24884590BindingDB
Emax79.1 %PMID24884590ChEMBL

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