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Ligand

NameCHEMBL350418
Molecular formulaC31H41NO5
IUPAC name(Z)-6-[(1R,2S,5S)-2-(azepan-1-yl)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight507.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50391279
Inchi KeyLCLLKZZXTCXQCH-FOKREPOFSA-N
Inchi IDInChI=1S/C31H41NO5/c33-22-24-9-13-26(14-10-24)27-15-11-25(12-16-27)23-37-29-18-17-28(32-19-5-1-2-6-20-32)31(29)36-21-7-3-4-8-30(34)35/h3,7,9-16,28-29,31,33H,1-2,4-6,8,17-23H2,(H,34,35)/b7-3-/t28-,29-,31+/m0/s1
PubChem CID44374711
ChEMBLCHEMBL350418
IUPHARN/A
BindingDB50391279
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
184050Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
184051Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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