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Ligand

NameCHEMBL90450
Molecular formulaC23H30IN3O5
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(4-azido-3-iodophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight555.413
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.3
Synonyms(R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
BDBM50020303
(S-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
Inchi KeyMERCJSBMRYQOHG-QIKHYXGUSA-N
Inchi IDInChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1
PubChem CID44322291
ChEMBLCHEMBL90450
IUPHARN/A
BindingDB50020303
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
203634Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362
203635Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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