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:

Ligand

NameCHEMBL3805879
Molecular formulaC18H14FN3O3S
IUPAC name3-[5-[[3-(4-fluorophenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Molecular weight371.386
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50171870
Inchi KeyLBXXTDSJYRFPFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14FN3O3S/c19-13-6-4-11(5-7-13)12-2-1-3-14(10-12)20-17(25)18-22-21-15(26-18)8-9-16(23)24/h1-7,10H,8-9H2,(H,20,25)(H,23,24)
PubChem CID127048827
ChEMBLCHEMBL3805879
IUPHARN/A
BindingDB50171870
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526757Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
526755Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330
526754Free fatty acid receptor 3O14843FFAR3Homo sapiens (Human)346
526756Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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