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Ligand

NameCHEMBL485131
Molecular formulaC23H24N2O3S
IUPAC name(3R,4R)-3-(1,3-benzothiazol-2-yl)-2-(2-ethylbutyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Molecular weight408.516
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50277887
(3R,4R)-3-(benzo[d]thiazol-2-yl)-2-(2-ethylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Inchi KeyAMECZIMRCNITSJ-WOJBJXKFSA-N
Inchi IDInChI=1S/C23H24N2O3S/c1-3-14(4-2)13-25-20(21-24-17-11-7-8-12-18(17)29-21)19(23(27)28)15-9-5-6-10-16(15)22(25)26/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,27,28)/t19-,20-/m1/s1
PubChem CID44591719
ChEMBLCHEMBL485131
IUPHARN/A
BindingDB50277887
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
8794Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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