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

NameFree fatty acid receptor 4
SpeciesHomo sapiens (Human)
GeneFFAR4
SynonymPGR4
Omega-3 fatty acid receptor 1
O3FAR1
GT01
GPR129
[ Show all ]
DiseaseN/A
Length377
Amino acid sequenceMSPECARAAGDAPLRSLEQANRTRFPFFSDVKGDHRLVLAAVETTVLVLIFAVSLLGNVCALVLVARRRRRGATACLVLNLFCADLLFISAIPLVLAVRWTEAWLLGPVACHLLFYVMTLSGSVTILTLAAVSLERMVCIVHLQRGVRGPGRRARAVLLALIWGYSAVAALPLCVFFRVVPQRLPGADQEISICTLIWPTIPGEISWDVSFVTLNFLVPGLVIVISYSKILQTSEHLLDARAVVTHSEITKASRKRLTVSLAYSESHQIRVSQQDFRLFRTLFLLMVSFFIMWSPIIITILLILIQNFKQDLVIWPSLFFWVVAFTFANSALNPILYNMTLCRNEWKKIFCCFWFPEKGAILTDTSVKRNDLSIISG
UniProtQ5NUL3
Protein Data BankN/A
GPCR-HGmod modelQ5NUL3
3D structure modelThis predicted structure model is from GPCR-EXP Q5NUL3.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5339
IUPHAR127
DrugBankBE0003399

Ligand

NameSCHEMBL16483013
Molecular formulaC18H22F3NO4
IUPAC name2-[9-[3-(trifluoromethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid
Molecular weight373.372
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsUS9708270, 95
BDBM261591
Inchi KeyHKZAOOWFKZZMDI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22F3NO4/c19-18(20,21)26-15-3-1-2-14(11-15)22-8-6-17(7-9-22)5-4-13(12-25-17)10-16(23)24/h1-3,11,13H,4-10,12H2,(H,23,24)
PubChem CID73777018
ChEMBLN/A
IUPHARN/A
BindingDB261591
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501895.0 nMN/ABindingDB

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