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Ligand

NameCGP 62349
Molecular formulaC21H28NO6P
IUPAC name3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid
Molecular weight421.43
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-1.1
Synonyms3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid
GTPL1072
CGP-62349
[3H]-CGP 62349
10-31-1
[ Show all ]
Inchi KeyAKUSEWDIEMJQBM-BEFAXECRSA-N
Inchi IDInChI=1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
PubChem CID5310936
ChEMBLN/A
IUPHAR1072
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553280Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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