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

NameCHEMBL1777872
Molecular formulaC26H25NO3S
IUPAC name3-[4-[[2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]oxy]phenyl]hex-4-ynoic acid
Molecular weight431.55
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
Synonymsrac-3-(4-(2-p-tolyl-4,5,6,7-tetrahydrobenzo[d]thiazol-7-yloxy)phenyl)hex-4-ynoic acid
BDBM50344078
Inchi KeyRDGSLINMZIQBIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25NO3S/c1-3-5-20(16-24(28)29)18-12-14-21(15-13-18)30-23-7-4-6-22-25(23)31-26(27-22)19-10-8-17(2)9-11-19/h8-15,20,23H,4,6-7,16H2,1-2H3,(H,28,29)
PubChem CID54583582
ChEMBLCHEMBL1777872
IUPHARN/A
BindingDB50344078
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
293339Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
293340Free fatty acid receptor 1Q76JU9Ffar1Mus musculus (Mouse)300

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