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

NameSCHEMBL1569620
Molecular formulaC28H25Cl2NO5
IUPAC name6-chloro-7-[4-[[3-(4-chlorophenyl)cyclopentyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
Molecular weight526.41
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM233351
US9556139, 168
Sodium 6-chloro-7-(4-(3-(4-chlorophenyl)cyclopentylcarbamoyl)phenoxy)chroman-4-carboxylate
Inchi KeyANVJJSFTQHVXII-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25Cl2NO5/c29-19-6-1-16(2-7-19)18-3-8-20(13-18)31-27(32)17-4-9-21(10-5-17)36-26-15-25-23(14-24(26)30)22(28(33)34)11-12-35-25/h1-2,4-7,9-10,14-15,18,20,22H,3,8,11-13H2,(H,31,32)(H,33,34)
PubChem CID67080236
ChEMBLN/A
IUPHARN/A
BindingDB233351
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557563Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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