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Compound InformationSONAR Target prediction
Name:

Epibestatin hydrochloride

Unique Identifier:LOPAC 00875
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16ClH25N2O4
Molecular Weight:319.635 g/mol
X log p:8.169  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:9
Canonical Smiles:Cl.CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(O)=O
Class:Biochemistry
Action:Inhibitor
Selectivity:Metalloprotease
Generic_name:BESTATIN
Chemical_iupac_name:2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00673
Drug_category:Leukotriene A-4 Hydrolase inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7515±0.0852564
Normalized OD Score: sc h 0.9991±0.0215786
Z-Score: -0.0159±0.832739
p-Value: 0.720282
Z-Factor: -17.057
Fitness Defect: 0.3281
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046787499999999996±0.00101
Plate DMSO Control (-):0.7538062500000003±0.03766
Plate Z-Factor:0.8896
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DBLink | Rows returned: 6
3238 2-[(3-amino-2-hydroxy-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid
72172 (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
439299 (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
6603747 (2S)-2-[[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
6916047 2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
6992132 (2S)-2-[[(2S,3R)-3-azaniumyl-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoate

internal high similarity DBLink | Rows returned: 1
LOPAC 00731 1.0000

active | Cluster 6103 | Additional Members: 3 | Rows returned: 1
SPE01502178 0.560975609756098

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