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

NameCHEMBL2114224
Molecular formulaC23H30IN3O5
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-5-(4-azido-3-iodophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight555.413
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.3
SynonymsBDBM50405736
Inchi KeyMERCJSBMRYQOHG-FIHGYYOLSA-N
Inchi IDInChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17-,18-,21+,22-/m1/s1
PubChem CID71449156
ChEMBLCHEMBL2114224
IUPHARN/A
BindingDB50405736
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
203633Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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