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Ligand

NameCHEMBL119416
Molecular formulaC14H14N3O11PS2
IUPAC name2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonomethyl)pyridin-2-yl]diazenyl]benzene-1,4-disulfonic acid
Molecular weight495.37
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-1.5
SynonymsBDBM50102299
1-[3-(Phosphonomethyl)-4-formyl-5-hydroxy-6-methyl-2-pyridylazo]-2,5-benzenedisulfonic acid
2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-pyridin-2-ylazo)-benzene-1,4-disulfonic acid
Inchi KeyBEUAGQZJDAPBKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N3O11PS2/c1-7-13(19)9(5-18)10(6-29(20,21)22)14(15-7)17-16-11-4-8(30(23,24)25)2-3-12(11)31(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
PubChem CID135544334
ChEMBLN/A
IUPHARN/A
BindingDB50102299
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557958P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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