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Ligand

NameCHEMBL32413
Molecular formulaC19H21NO3
IUPAC nameethyl (2S)-2-benzamido-4-phenylbutanoate
Molecular weight311.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
Synonyms(2S)-N-Benzoyl-2-phenethylglycine ethyl ester
BDBM50100026
(S)-2-Benzoylamino-4-phenyl-butyric acid ethyl ester
Inchi KeyBBGVYTQLRUAOLT-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H21NO3/c1-2-23-19(22)17(14-13-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m0/s1
PubChem CID9818195
ChEMBLCHEMBL32413
IUPHARN/A
BindingDB50100026
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
19483C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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