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

NameCHEMBL388655
Molecular formulaC25H20ClFO3
IUPAC name3-[2-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
Molecular weight422.88
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.0
SynonymsSCHEMBL5620109
Inchi KeyBHDXKCMVCKNNED-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20ClFO3/c26-19-12-11-18(23(27)14-19)15-30-24-10-2-1-7-22(24)21-9-4-8-20(21)16-5-3-6-17(13-16)25(28)29/h1-3,5-7,10-14H,4,8-9,15H2,(H,28,29)
PubChem CID10216528
ChEMBLCHEMBL388655
IUPHARN/A
BindingDBN/A
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
23671Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
23670Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390

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