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

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

NameCHEMBL1777863
Molecular formulaC19H14BrNO3
IUPAC name3-[4-(2-bromo-4-cyanophenoxy)phenyl]hex-4-ynoic acid
Molecular weight384.229
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50344070
rac-3-(4-(2-bromo-4-cyanophenoxy)phenyl)hex-4-ynoic acid
Inchi KeyVIXBOSFBBFQKIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14BrNO3/c1-2-3-15(11-19(22)23)14-5-7-16(8-6-14)24-18-9-4-13(12-21)10-17(18)20/h4-10,15H,11H2,1H3,(H,22,23)
PubChem CID54582628
ChEMBLCHEMBL1777863
IUPHARN/A
BindingDB50344070
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5088.0 nMPMID21514824BindingDB,ChEMBL

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