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

NameCHEMBL1081902
Molecular formulaC23H14Cl2F3N3O3S2
IUPAC name4,5-dichloro-N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]thiophene-2-sulfonamide
Molecular weight572.398
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50311613
SCHEMBL1924612
4,5-dichloro-N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)thiophene-2-sulfonamide
Inchi KeyFZNGBHCZAVIIKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H14Cl2F3N3O3S2/c1-11-9-31(10-12-2-3-17(27)18(28)4-12)22-14(11)5-13(26)6-15(22)19-8-20(29-34-19)30-36(32,33)21-7-16(24)23(25)35-21/h2-9H,10H2,1H3,(H,29,30)
PubChem CID46879756
ChEMBLCHEMBL1081902
IUPHARN/A
BindingDB50311613
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
91070Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
91072Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
91068Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
91071Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
91069Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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