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Ligand

Name8-carboxy-iso-iantheran A
Molecular formulaC33H16Br4Na2O14S2
IUPAC namedisodium;[(1Z,3Z)-1-[7-bromo-2-(3-bromo-4-hydroxyphenyl)-1-benzofuran-5-yl]-4-[7-bromo-2-(3-bromo-4-hydroxyphenyl)-3-carboxy-1-benzofuran-5-yl]-3-sulfonatooxybuta-1,3-dien-2-yl] sulfate
Molecular weight1066.19
Hydrogen bond acceptor14
Hydrogen bond donor3
XlogPNone
SynonymsCHEMBL394381
Inchi KeyXKIJWXPLHXBRNA-GJMBIJSZSA-L
Inchi IDInChI=1S/C33H18Br4O14S2.2Na/c34-20-11-16(1-3-24(20)38)26-13-18-5-14(7-22(36)30(18)48-26)9-27(50-52(42,43)44)28(51-53(45,46)47)10-15-6-19-29(33(40)41)31(49-32(19)23(37)8-15)17-2-4-25(39)21(35)12-17;;/h1-13,38-39H,(H,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b27-9-,28-10-;;
PubChem CID23656757
ChEMBLCHEMBL394381
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

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
394146P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
394145P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
394147P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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