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Ligand

NameCHEMBL421831
Molecular formulaC32H42N2O5
IUPAC name(Z)-6-[(1R,5S)-2-[[4-[4-(2-amino-2-oxoethyl)phenyl]phenyl]methoxy]-5-(azepan-1-yl)cyclopentyl]oxyhex-4-enoic acid
Molecular weight534.697
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50391296
Inchi KeyCEKMCURBOQYMIO-KWDMWAAPSA-N
Inchi IDInChI=1S/C32H42N2O5/c33-30(35)22-24-9-13-26(14-10-24)27-15-11-25(12-16-27)23-39-29-18-17-28(34-19-5-1-2-6-20-34)32(29)38-21-7-3-4-8-31(36)37/h3,7,9-16,28-29,32H,1-2,4-6,8,17-23H2,(H2,33,35)(H,36,37)/b7-3-/t28-,29?,32+/m0/s1
PubChem CID44374481
ChEMBLCHEMBL421831
IUPHARN/A
BindingDB50391296
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
39978Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
39979Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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