UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DNC010107 DNC010107

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 7000 0.72 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 -2.98 -4.01 1 1 0 12 169.274 0 ↓

Analogs

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Popular Name: DNC010107 DNC010107

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 7000 0.72 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 -2.97 -4.06 1 1 0 12 169.274 0 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-chlorophenyl)amino-methanone (4-amino-1,2,5-oxadiazol-3-yl)-(…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 6000 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 1.76 -7.46 4 7 0 110 253.649 3 ↓
Hi High (pH 8-9.5) 1.30 1.96 -28.78 3 7 -1 112 252.641 3 ↓
Hi High (pH 8-9.5) 1.30 1.16 -32.25 3 7 -1 112 252.641 3 ↓

Analogs

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Popular Name: (4Z)-4-(anilino-nitroso-methylene)-1,2,5-oxadiazol-3-amine (4Z)-4-(anilino-nitroso-methylen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 490 0.55 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 1.24 -7.55 4 7 0 110 219.204 3 ↓
Ref Reference (pH 7) 0.63 1.77 -10.98 4 7 0 110 219.204 3 ↓
Hi High (pH 8-9.5) 0.63 0.64 -36.04 3 7 -1 112 218.196 3 ↓

Analogs

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Popular Name: INCB 024360 INCB 024360

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 46 0.57 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.8 -9.56 4 7 0 110 271.639 3 ↓
Hi High (pH 8-9.5) 1.40 1.21 -31.23 3 7 -1 112 270.631 3 ↓

Parameters Provided:

target.name = I23O1-5-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'I23O1-5-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=I23O1-5-E&target.type=B10&filter.purchasability=purchasable

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