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Ligand

NameBimatoprost
Molecular formulaC25H37NO4
IUPAC name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
Molecular weight415.574
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.8
SynonymsLatisse (TN)
QXS94885MZ
ZINC4474405
(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide
17-Phenyl-tri-norprostaglandin F2alpha-ethyl amide, >=95%, solid
[ Show all ]
Inchi KeyAQOKCDNYWBIDND-FTOWTWDKSA-N
Inchi IDInChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1
PubChem CID5311027
ChEMBLN/A
IUPHAR1958
BindingDBN/A
DrugBankDB00905

Structure

SDF download

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

Known GPCRs

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Total entries: 3
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GLASS IDNameUniProtGeneSpeciesLength
11959Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
11960Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
11958Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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