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

NameCHEMBL297989
Molecular formulaC23H23ClNNaO6S2
IUPAC namesodium;3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxobutyl]-6-propan-2-ylazulene-1-sulfonate
Molecular weight531.998
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyDBZOLKDGRLNHOY-UHFFFAOYSA-M
Inchi IDInChI=1S/C23H24ClNO6S2.Na/c1-15(2)16-6-12-20-17(14-22(33(29,30)31)21(20)13-7-16)4-3-5-23(26)25-32(27,28)19-10-8-18(24)9-11-19;/h6-15H,3-5H2,1-2H3,(H,25,26)(H,29,30,31);/q;+1/p-1
PubChem CID44292031
ChEMBLCHEMBL297989
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56156Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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