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Compound InformationSONAR Target prediction
Name:

NYSTATIN

Unique Identifier:SPE01500446
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:850.499 g/mol
X log p:18.921  (online calculus)
Lipinksi Failures2
TPSA71.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:18
Rotatable Bond Count:3
Canonical Smiles:CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC2(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3
O)C=CC=CC=CC=CCCC=CC=CC(C)C(O)C1C)O2)C(O)=O
Class:macrolide
Source:Streptomyces noursei
Therapeutics:antifungal, binds to membrane sterols

Found: 179 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [179]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.0885±0.0286378
Normalized OD Score: sc h 0.3328±0.0286583
Z-Score: -8.4753±0.70991
p-Value: 7.72678e-16
Z-Factor: 0.611954
Fitness Defect: 34.7967
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|B7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00526
Plate DMSO Control (-):0.94575±0.01308
Plate Z-Factor:0.9370
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DBLink | Rows returned: 101 2 Next >> 
4568 33-(4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-ox
o-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
443663 (1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,33R,35S,36S,37S)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl
-oxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatr
iaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
5311331 (19E,21E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,4,7,9,11
,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-h
exaene-36-carboxylic acid
5702099 (1S,15S,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-
1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,2
5,27,29,31-hexaene-36-carboxylic acid
6420032 (1S,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E)-33-(4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl)oxy-1,3,4,7,9,
11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31
-hexaene-36-carboxylic acid
6433272 (1S,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-
yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-
19,21,25,27,29,31-hexaene-36-carboxylic acid

internal high similarity DBLink | Rows returned: 1
SPE01500122 0.9854

active | Cluster 7118 | Additional Members: 11 | Rows returned: 5
SPE01503432 0.401639344262295
SPE01505560 0.392857142857143
LAT005H11 0.229357798165138
SPE01500122 0
LAT006F08 0

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