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

NameCHEMBL240925
Molecular formulaC10H7Br2NaO7S
IUPAC namesodium;[(Z)-1-carboxy-2-(3,5-dibromo-4-methoxyphenyl)ethenyl] sulfate
Molecular weight454.017
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyJQGNELSVSKKIJP-ZYFYRQFPSA-M
Inchi IDInChI=1S/C10H8Br2O7S.Na/c1-18-9-6(11)2-5(3-7(9)12)4-8(10(13)14)19-20(15,16)17;/h2-4H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1/b8-4-;
PubChem CID23672417
ChEMBLCHEMBL240925
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
157238P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
157237P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
157236P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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