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Ligand

NameCHEMBL170335
Molecular formulaC23H32O5
IUPAC name[(5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Molecular weight388.504
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50088849
(2E,4E,6E)-Octa-2,4,6-trienoic acid (5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester
Inchi KeyBIBMODCOJDZAGU-ROOWPLTDSA-N
Inchi IDInChI=1S/C23H32O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-15-27-20(25)23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19-20,25-26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19?,20?,22+,23+/m1/s1
PubChem CID44383537
ChEMBLCHEMBL170335
IUPHARN/A
BindingDB50088849
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
24317Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
24316Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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