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Ligand

NameCHEMBL345396
Molecular formulaC31H42N2O6S
IUPAC name(Z)-6-[(1R,2S,5S)-2-(azepan-1-yl)-5-[[4-[2-(methanesulfonamido)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight570.745
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50391293
SCHEMBL9775086
Inchi KeyJUERAJFRTWKSMU-SJQDTAOZSA-N
Inchi IDInChI=1S/C31H42N2O6S/c1-40(36,37)32-27-12-7-6-11-26(27)25-16-14-24(15-17-25)23-39-29-19-18-28(33-20-8-2-3-9-21-33)31(29)38-22-10-4-5-13-30(34)35/h4,6-7,10-12,14-17,28-29,31-32H,2-3,5,8-9,13,18-23H2,1H3,(H,34,35)/b10-4-/t28-,29-,31+/m0/s1
PubChem CID44374579
ChEMBLCHEMBL345396
IUPHARN/A
BindingDB50391293
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
160075Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
160076Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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