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

NameCHEMBL19540
Molecular formulaC19H27NO5S
IUPAC name(Z)-7-[(1R,2S,5S)-2-hydroxy-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
Molecular weight381.487
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.5
SynonymsSCHEMBL9287442
Inchi KeyAHIGENLQAMBSQQ-UACZKXNTSA-N
Inchi IDInChI=1S/C19H27NO5S/c1-14-8-10-15(11-9-14)26(24,25)20-17-12-13-18(21)16(17)6-4-2-3-5-7-19(22)23/h2,4,8-11,16-18,20-21H,3,5-7,12-13H2,1H3,(H,22,23)/b4-2-/t16-,17+,18+/m1/s1
PubChem CID15018465
ChEMBLCHEMBL19540
IUPHARN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5569Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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