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

NameCHEMBL1813273
Molecular formulaC30H30N2O5
IUPAC name2-[1-[2,3-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid
Molecular weight498.579
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50350376
SCHEMBL5647508
Inchi KeyUVWBRJYHDOMDOP-NRFANRHFSA-N
Inchi IDInChI=1S/C30H30N2O5/c1-18-19(2)27(36-17-21-16-31(4)26-11-7-8-12-28(26)37-21)14-13-22(18)30(35)32-20(3)24(15-29(33)34)23-9-5-6-10-25(23)32/h5-14,21H,15-17H2,1-4H3,(H,33,34)/t21-/m0/s1
PubChem CID10117702
ChEMBLCHEMBL1813273
IUPHARN/A
BindingDB50350376
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
346970Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
346971Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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