Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73342 | Target Info | |||
| Target Name | Ribonucleotide reductase (RIR) | ||||
| Synonyms |
Ribonucleoside diphosphate reductase; RIR1
Click to Show/Hide
|
||||
| Target Type | Successful Target | ||||
| Gene Name | RIR | ||||
| Biochemical Class | CH/CH(2) oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 7 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-[[2-(3,3-Dimethyl-2-{3-methyl-2-[methyl-(3-phenyl-propionyl)-amino]-butyrylamino}-butyrylamino)-4-oxo-4-pyrrolidin-1-yl-butyrylamino]-(1-hydroxymethyl-3,3-dimethyl-butylcarbamoyl)-methyl]-cyclopentanecarboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL120264; BDBM50033473
Click to Show/Hide
|
||||
| Activity |
EC50 = 52000 nM
|
[1] | |||
| Compound Name |
(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-methyl-butyrylamino]-3-methyl-butyrylamino}-3-carbamoyl-propionylamino)-3-carboxy-propionylamino]-4-methyl-pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL318787; Ala-Val-Val-Asn-Asp-Leu; H-Ala-Val-Val-Asn-Asp-Leu-OH; BDBM50013366; L-Leucine, L-alanyl-L-valyl-L-valyl-L-asparaginyl-L-alpha-aspartyl-
Click to Show/Hide
|
||||
| Activity |
IC50 = 58000 nM
|
[1] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790909
Click to Show/Hide
|
||||
| Activity |
IC50 = 80000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-(4-azidophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790923
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-(4-aminophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790902
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
2-[3-Carboxy-2-(2-{3-methyl-2-[2-(3-phenyl-propionylamino)-acetylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL332033; BDBM50033452
Click to Show/Hide
|
||||
| Activity |
IC50 = 115000 nM
|
[1] | |||
| Compound Name |
1-[[2-(2-{2-[(2-Benzyl-3-phenyl-propionyl)-methyl-amino]-3-methyl-butyrylamino}-3,3-dimethyl-butyrylamino)-3-carbamoyl-propionylamino]-(1-hydroxymethyl-3,3-dimethyl-butylcarbamoyl)-methyl]-cyclopentanecarboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL121447; BDBM50033468
Click to Show/Hide
|
||||
| Activity |
EC50 = 150000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 15 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790925
Click to Show/Hide
|
||||
| Activity |
IC50 = 207000 nM
|
[2] | |||
| Compound Name |
(2R,3R,4S,5R)-2-(6-Hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-Aminoadenosine; N6-aminoadenosine; CHEMBL236757; N-aminoadenosine; Inosine, hydrazone; SCHEMBL8712645; ZINC4024123; BDBM50214817; NSC 29408; AKOS030488442; MCULE-4901527892; 9H-Purine, 6-hydrazino-9-beta-D-ribofuranosyl-
Click to Show/Hide
|
||||
| Activity |
IC50 = 232000 nM
|
[3] | |||
| Compound Name |
4-Hydroxybenzaldehyde N-phenylthiosemicarbazone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-(4-Hydroxybenzylidene)-4-phenylthiosemicarbazide; CHEMBL456610; ZINC36476344; AKOS003416550; ST50540389; 4-((1E)-2-{[(phenylamino)thioxomethyl]amino}-2-azavinyl)phenol
Click to Show/Hide
|
||||
| Activity |
IC50 = 242102.9 nM
|
[4] | |||
| Compound Name |
1-(4-Chlorophenyl)-3-[(E)-(4-hydroxyphenyl)methylideneamino]thiourea
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL446819
Click to Show/Hide
|
||||
| Activity |
IC50 = 287078.06 nM
|
[4] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790922
Click to Show/Hide
|
||||
| Activity |
IC50 = 322000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-Acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790914
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790901
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL126954
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[2] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790915
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790924
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL331274
Click to Show/Hide
|
||||
| Activity |
IC50 = 412000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790920
Click to Show/Hide
|
||||
| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[2-benzyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL19766
Click to Show/Hide
|
||||
| Activity |
IC50 = 600000 nM
|
[5] | |||
| Compound Name |
Val-Val-Asn-Asp-Leu
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
H-Val-Val-Asn-Asp-Leu-OH; CHEMBL102379; SCHEMBL9848679; BDBM50013358
Click to Show/Hide
|
||||
| Activity |
IC50 = 760000 nM
|
[6] | |||
| Compound Name |
2'-Deoxy-2'-methyleneuridine-5'-diphosphoric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369012
Click to Show/Hide
|
||||
| Activity |
Ki = 830000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Peptidomimetic inhibitors of herpes simplex virus ribonucleotide reductase: a new class of antiviral agents. J Med Chem. 1995 Sep 1;38(18):3617-23. | ||||
| REF 2 | R2 C-terminal peptide inhibition of mammalian and yeast ribonucleotide reductase. J Med Chem. 1993 Nov 26;36(24):3859-62. | ||||
| REF 3 | Synthesis and biological activity of novel N6-substituted and 2,N6-disubstituted adenine ribo- and 3'-C-methyl-ribonucleosides as antitumor agents. Eur J Med Chem. 2011 May;46(5):1499-504. | ||||
| REF 4 | QSAR and pharmacophore analysis of thiosemicarbazone derivatives as ribonucleotide reductase inhibitors. Med Chem Res. 2011 Feb 05;21:739-46. | ||||
| REF 5 | Substituted penta- and hexapeptides as potent inhibitors of herpes simplex virus type 2 ribonucleotide reductase. Bioorg Med Chem Lett. 1992 Oct;2(10):1207-12. | ||||
| REF 6 | Peptidomimetic inhibitors of herpes simplex virus ribonucleotide reductase with improved in vivo antiviral activity. J Med Chem. 1996 Oct 11;39(21):4173-80. | ||||
| REF 7 | 2'-Deoxy-2'-methylenecytidine and 2'-deoxy-2',2'-difluorocytidine 5'-diphosphates: potent mechanism-based inhibitors of ribonucleotide reductase. J Med Chem. 1991 Jun;34(6):1879-84. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.