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Ligand

NameCHEMBL65161
Molecular formulaC29H31NO3S
IUPAC name(Z)-7-[(2S,3S,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-ylthiolan-3-yl]hept-5-enoic acid
Molecular weight473.631
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50283045
(Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyridin-3-yl-tetrahydro-thiophen-3-yl]-hept-5-enoic acid
Inchi KeyAVFPODQCTNAKHD-BTOVUEFMSA-N
Inchi IDInChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1,3-6,8-11,14-19,26-27,29H,2,7,12-13,20-21H2,(H,31,32)/b6-1-/t26-,27+,29+/m0/s1
PubChem CID44305452
ChEMBLCHEMBL65161
IUPHARN/A
BindingDB50283045
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15254Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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