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Ligand

NameCHEMBL2443003
Molecular formulaC20H28FN5O5
IUPAC name(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]oxane-3,4,5-triol
Molecular weight437.472
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP-0.6
SynonymsBDBM50442753
Inchi KeyWHDATORJGMRETC-OUUBHVDSSA-N
Inchi IDInChI=1S/C20H28FN5O5/c1-30-15-5-3-2-4-14(15)25-8-6-24(7-9-25)11-13-12-26(23-22-13)20-19(29)18(28)17(27)16(10-21)31-20/h2-5,12,16-20,27-29H,6-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
PubChem CID72545010
ChEMBLCHEMBL2443003
IUPHARN/A
BindingDB50442753
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
373216Beta-1 adrenergic receptorQ28998ADRB1Sus scrofa (Pig)468
373217D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
373215D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
373214D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
532036D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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