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Ligand

NameCHEMBL2443008
Molecular formulaC29H38FN5O7
IUPAC name(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)-6-[3-[4-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]phenoxy]propoxy]oxane-3,4-diol
Molecular weight587.649
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50442748
Inchi KeyUYUTUOIZGIGQQA-VIVFLBMVSA-N
Inchi IDInChI=1S/C29H38FN5O7/c1-39-24-6-3-2-5-23(24)34-13-11-33(12-14-34)17-20-18-35(32-31-20)21-7-9-22(10-8-21)40-15-4-16-41-29-26(30)28(38)27(37)25(19-36)42-29/h2-3,5-10,18,25-29,36-38H,4,11-17,19H2,1H3/t25-,26-,27-,28-,29?/m1/s1
PubChem CID72544787
ChEMBLCHEMBL2443008
IUPHARN/A
BindingDB50442748
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.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
349011Beta-1 adrenergic receptorQ28998ADRB1Sus scrofa (Pig)468
349010D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
349009D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
349012D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
531356D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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