Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T09215

Target Info

Target Name

Mycobacterium Isocitrate lyase (MycB icl)

Synonyms

Isocitratase; Isocitrase; ICL

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Target Type

Literature-reported Target

Gene Name

MycB icl

Biochemical Class

Carbon-carbon lyase

UniProt ID

P9WKK7

Poor Binders of This Target (in total, 9 binders)

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Compound Name

3-Nitropropionic acid

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Investigative

Compound Info

Synonyms

3-Nitropropanoic acid; Bovinocidin; Hiptagenic acid; Propanoic acid, 3-nitro-; beta-Nitropropionic acid; 3-Nitropropionate; Propionic acid, 3-nitro-; 3-NP acid; beta-Nitropropanoic acid; NCI-C03076; NSC 64266; 3-nitro-propionic acid; BOVINOCIDIN (3-nitropropionic acid); NITROPROPIONIC ACID, BETA; UNII-QY4L0FOX0D; 3-NPA; beta-Nitropropanoate; 3-Nitroporpionic Acid; QY4L0FOX0D; .beta.-Nitropropionic acid; CHEMBL451226; NSC64266; MFCD00007406; DSSTox_CID_982; DSSTox_RID_75904; 3-nitro-1-propionate; DSSTox_GSID_20982; CCRIS 454; HSDB 4147; Nitropropionic aci, beta; SR-01000076030; EINECS 208-003-0; BRN 1759889; Spectrum_001674; 3-Nitro-Propanoic acid; SpecPlus_000692; Substrate analogue, 20; beta -nitropropionic acid; Spectrum2_000876; Spectrum3_000993; Spectrum4_001119; Spectrum5_001895; Lopac-N-5636; WLN: WN2VQ; Nitropropionic acid, .beta.; 3-Nitropropionic acid, 8CI; Lopac0_000838; SCHEMBL70072; BSPBio_002685; KBioGR_001598; KBioSS_002154; 4-02-00-00771 (Beilstein Handbook Reference); MLS001066410; 3-Nitropropionic acid, 97%; DivK1c_006788; SPECTRUM1504206; SPBio_000951; DTXSID1020982; 3-Nitropropionic acid, >=97%; BDBM82201; CTK3I9712; KBio1_001732; KBio2_002154; KBio2_004722; KBio2_007290; KBio3_001905; HMS2235N03; HMS3262H17; HMS3369D16; HMS3865D03; ZINC895862; Propanoic acid, 3-nitro- (9CI); BCP15066; Tox21_202460; Tox21_303007; Tox21_500838; 6949AB; BDBM50480795; CCG-40325; NSC-64266; s3652; AKOS006221915; AKOS015833440; 504-88-1 (FREE ACID); CM10288; CS-W013591; HY-W012875; LP00838; SDCCGMLS-0066769.P001; SDCCGSBI-0050815.P003; KS-0000184K; 3-Nitropropanoic acid; 3-nitropropanoate; NCGC00015744-01; NCGC00015744-02; NCGC00015744-03; NCGC00015744-04; NCGC00015744-05; NCGC00015744-06; NCGC00015744-07; NCGC00015744-11; NCGC00094169-01; NCGC00094169-02; NCGC00094169-03; NCGC00094169-04; NCGC00256389-01; NCGC00260009-01; NCGC00261523-01; SC-89718; SMR000471863; 3-Nitropropionic acid - CAS 504-88-1; DB-008848; EU-0100838; FT-0632243; C05669; N 5636; 2-(4-Nitrophenylamino)thiazole-4-carboxylicacid; Q223104; SR-01000076030-1; SR-01000076030-5

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Activity

IC50 = 50700 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425396; BDBM50440014

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Activity

IC50 = 126000 nM

[1]

Compound Name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Carboxy-2-[[(2S)-1-[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425395; BDBM50440015

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Activity

IC50 = 142000 nM

[1]

Compound Name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425398; BDBM50440012

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Activity

IC50 = 156000 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425397; BDBM50440013

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Activity

IC50 = 166000 nM

[1]

Compound Name

(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425394; BDBM50440016

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Activity

IC50 = 172000 nM

[1]

Compound Name

(4S)-4-[[(2S,3R)-2-Amino-3-hydroxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425400; BDBM50440010

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Activity

IC50 = 182000 nM

[1]

Compound Name

(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425399; BDBM50440011

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Activity

IC50 = 190000 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425405; BDBM50440005

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Activity

IC50 = 192000 nM

[1]

Click to Show/Hide the Information of All Poor Binders

Non Binders of This Target (in total, 4 non binders)

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Compound Name

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425403; BDBM50440007

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Activity

IC50 = 204000 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425402; BDBM50440008

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Activity

IC50 = 208000 nM

[1]

Compound Name

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425401; BDBM50440009

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Activity

IC50 = 214000 nM

[1]

Compound Name

(2S,3R)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2425404; BDBM50440006

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Activity

IC50 = 228000 nM

[1]

References

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REF 1

Optimization of phage heptapeptide library-screening process for developing inhibitors of the isocitrate lyase homologue from. Med Chem Res. 2013 Oct 26;23:2543-53.

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