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:

Ligand

NameCHEMBL1777870
Molecular formulaC21H20O3
IUPAC name3-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid
Molecular weight320.388
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50344077
3-(4-((R)-2,3-dihydro-1H-inden-1-yloxy)phenyl)hex-4-ynoic acid
Inchi KeyPWKDPFKRLIKHTE-UUSAFJCLSA-N
Inchi IDInChI=1S/C21H20O3/c1-2-5-17(14-21(22)23)15-8-11-18(12-9-15)24-20-13-10-16-6-3-4-7-19(16)20/h3-4,6-9,11-12,17,20H,10,13-14H2,1H3,(H,22,23)/t17?,20-/m1/s1
PubChem CID54586486
ChEMBLCHEMBL1777870
IUPHARN/A
BindingDB50344077
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
270532Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
270533Free fatty acid receptor 1Q76JU9Ffar1Mus musculus (Mouse)300

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