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

NameCHEMBL3943315
Molecular formulaC23H22FNO5S
IUPAC name3-[(2R)-6-[2-fluoro-3-methoxy-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
Molecular weight443.489
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50207064
Inchi KeyHICVLXFTBNJIEQ-MRXNPFEDSA-N
Inchi IDInChI=1S/C23H22FNO5S/c1-13-12-25-23(31-13)30-17-10-18(22(24)20(11-17)28-2)14-4-7-19-15(9-14)3-5-16(29-19)6-8-21(26)27/h4,7,9-12,16H,3,5-6,8H2,1-2H3,(H,26,27)/t16-/m1/s1
PubChem CID134146720
ChEMBLCHEMBL3943315
IUPHARN/A
BindingDB50207064
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
549282Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
549283Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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