Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2325980
Molecular formulaC28H44N2O9S3
IUPAC namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxoprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
Molecular weight648.845
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP1.8
SynonymsN/A
Inchi KeyIDKBUHFLIMXMIP-FMSZLZMTSA-N
Inchi IDInChI=1S/C28H44N2O9S3/c1-5-30(22-14-18(4)41(35,36)28-21(22)15-27(40-28)42(29,37)38)25(33)13-12-20-19(23(31)16-24(20)32)10-8-6-7-9-11-26(34)39-17(2)3/h6,8,12-13,15,17-24,28,31-32H,5,7,9-11,14,16H2,1-4H3,(H2,29,37,38)/b8-6-,13-12+/t18-,19+,20+,21?,22-,23-,24+,28?/m0/s1
PubChem CID71552593
ChEMBLCHEMBL2325980
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
130533Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366

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