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Ligand

NameUNII-1GY0F1HMVT
Molecular formulaC21H27ClO6
IUPAC name(Z)-7-[(2R,3S,4R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]hept-4-enoic acid
Molecular weight410.891
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsD0L4IV
SCHEMBL11891475
AL-12180
(Z)-7-[(2R,3S,4R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]hept-4-enoic acid
GTPL3386
[ Show all ]
Inchi KeyGLYAVTUPQOQHAD-MOBTWWNESA-N
Inchi IDInChI=1S/C21H27ClO6/c22-15-6-5-7-17(12-15)27-13-16(23)10-11-20-18(19(24)14-28-20)8-3-1-2-4-9-21(25)26/h1-2,5-7,10-12,16,18-20,23-24H,3-4,8-9,13-14H2,(H,25,26)/b2-1-,11-10+/t16-,18+,19+,20-/m1/s1
PubChem CID59107184
ChEMBLN/A
IUPHAR3386
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
553743Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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