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

NameBW 245C
Molecular formulaC19H32N2O5
IUPAC name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Molecular weight368.474
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.9
Synonyms7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
BW-245C
EINECS 278-291-0
REGID_for_CID_119304
4-Imidazolidineheptanoic acid, 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-
[ Show all ]
Inchi KeyZIDQIOZJEJFMOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)
PubChem CID119304
ChEMBLCHEMBL575504
IUPHAR1878
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
515802Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
429090Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
429087Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
555417Prostaglandin D2 receptorQ9R261PtgdrRattus norvegicus (Rat)357
555418Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
429086Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
429088Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
429092Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
429089Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
429094Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417