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 1
SpeciesMus musculus (Mouse)
GeneFfar1
SynonymFFA1 receptor
FFA1R
G protein-coupled receptor 40
G-protein coupled receptor 40
GPR40
DiseaseN/A for non-human GPCRs
Length300
Amino acid sequenceMDLPPQLSFALYVSAFALGFPLNLLAIRGAVSHAKLRLTPSLVYTLHLGCSDLLLAITLPLKAVEALASGAWPLPLPFCPVFALAHFAPLYAGGGFLAALSAGRYLGAAFPFGYQAIRRPRYSWGVCVAIWALVLCHLGLALGLETSGSWLDNSTSSLGINIPVNGSPVCLEAWDPDSARPARLSFSILLFFLPLVITAFCYVGCLRALVRSGLSHKRKLRAAWVAGGALLTLLLCLGPYNASNVASFINPDLGGSWRKLGLITGAWSVVLNPLVTGYLGTGPGRGTICVTRTQRGTIQK
UniProtQ76JU9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5411
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1777867
Molecular formulaC16H13BrN2O3
IUPAC name3-[4-(5-bromopyrimidin-2-yl)oxyphenyl]hex-4-ynoic acid
Molecular weight361.195
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50344074
rac-3-(4-(5-bromopyrimidin-2-yloxy)phenyl)hex-4-ynoic acid
Inchi KeyUSGBHZYCIIHVDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13BrN2O3/c1-2-3-12(8-15(20)21)11-4-6-14(7-5-11)22-16-18-9-13(17)10-19-16/h4-7,9-10,12H,8H2,1H3,(H,20,21)
PubChem CID54582631
ChEMBLCHEMBL1777867
IUPHARN/A
BindingDB50344074
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501484.0 nMPMID21514824BindingDB,ChEMBL

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