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Ligand

NameCHEMBL60613
Molecular formulaC25H29NO4
IUPAC name(5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(E)-naphthalen-2-ylmethoxyiminomethyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Molecular weight407.51
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsN/A
Inchi KeyBFCYVJPDWNFBQD-WCUUICJYSA-N
Inchi IDInChI=1S/C25H29NO4/c27-24-14-21-11-17(5-1-4-8-25(28)29)13-22(21)23(24)15-26-30-16-18-9-10-19-6-2-3-7-20(19)12-18/h2-3,5-7,9-10,12,15,21-24,27H,1,4,8,11,13-14,16H2,(H,28,29)/b17-5+,26-15+/t21-,22-,23+,24+/m0/s1
PubChem CID44304351
ChEMBLCHEMBL60613
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22197Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
22196Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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