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

Nameiso-iantheran A
Molecular formulaC32H16Br4Na2O12S2
IUPAC namedisodium;[(1Z,3Z)-1,4-bis[7-bromo-2-(3-bromo-4-hydroxyphenyl)-1-benzofuran-5-yl]-3-sulfonatooxybuta-1,3-dien-2-yl] sulfate
Molecular weight1022.18
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogPNone
SynonymsCHEMBL240681
Inchi KeyFXPJDFSMGKKULQ-WLADAGMQSA-L
Inchi IDInChI=1S/C32H18Br4O12S2.2Na/c33-21-11-17(1-3-25(21)37)27-13-19-5-15(7-23(35)31(19)45-27)9-29(47-49(39,40)41)30(48-50(42,43)44)10-16-6-20-14-28(46-32(20)24(36)8-16)18-2-4-26(38)22(34)12-18;;/h1-14,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b29-9-,30-10-;;
PubChem CID23656759
ChEMBLCHEMBL240681
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89818P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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