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

NameCHEMBL603462
Molecular formulaC25H22F3NO3S
IUPAC name4-[1-[[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight473.51
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50308130
SCHEMBL2352729
4-{1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid
Inchi KeyFFFKIGGQAODEPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F3NO3S/c1-14-20(13-16-4-3-5-19(12-16)25(26,27)28)21(15(2)33-14)22(30)29-24(10-11-24)18-8-6-17(7-9-18)23(31)32/h3-9,12H,10-11,13H2,1-2H3,(H,29,30)(H,31,32)
PubChem CID24953624
ChEMBLCHEMBL603462
IUPHARN/A
BindingDB50308130
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77034Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
77038Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
77040Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
77039Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
77033Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
77041Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
77035Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
77036Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
77037Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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