UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14951055
14951055

Draw Identity 99% 90% 80% 70%

Popular Name: Aminoguanidine Aminoguanidine

Find On: PubMed — Wikipedia — Google

Vendors

And 14 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-3-E Diamine Oxidase (cluster #3 Of 4), Eukaryotic Eukaryotes 140 1.92 Binding ≤ 10μM
NOS1-4-E Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic Eukaryotes 5900 1.46 Binding ≤ 10μM
NOS2-6-E Nitric Oxide Synthase, Inducible (cluster #6 Of 9), Eukaryotic Eukaryotes 3900 1.51 Binding ≤ 10μM
NOS1-1-E Nitric-oxide Synthase, Brain (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 1.46 Functional ≤ 10μM
NOS2-3-E Nitric Oxide Synthase, Inducible (cluster #3 Of 3), Eukaryotic Eukaryotes 4500 1.50 Functional ≤ 10μM
Z80418-8-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #8 Of 9), Other Other 50 2.04 Functional ≤ 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) -2.27 -7.4 -28.95 7 4 1 89 75.095 1 ↓

Analogs

4557060
4557060

Draw Identity 99% 90% 80% 70%

Popular Name: Mitoguazone Mitoguazone

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-3-E Diamine Oxidase (cluster #3 Of 4), Eukaryotic Eukaryotes 1500 0.63 Binding ≤ 10μM
DCAM-3-E S-adenosylmethionine Decarboxylase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.65 Binding ≤ 10μM
DCAM-3-E S-adenosylmethionine Decarboxylase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1400 0.63 Binding ≤ 10μM
Q6IMK5-2-E Diamine Oxidase-like Protein 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1900 0.62 Binding ≤ 10μM
Q6IMK6-2-E Diamine Oxidase-like Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1900 0.62 Binding ≤ 10μM
Z80532-6-O T-24 (Bladder Carcinoma Cells) (cluster #6 Of 6), Other Other 1100 0.64 Functional ≤ 10μM
Z80532-6-O T-24 (Bladder Carcinoma Cells) (cluster #6 Of 6), Other Other 1130 0.64 Functional ≤ 10μM
Z80088-2-O CHO (Ovarian Cells) (cluster #2 Of 3), Other Other 3300 0.59 ADME/T ≤ 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) -1.84 0.92 -34.14 9 8 1 150 185.215 5 ↓
Ref Reference (pH 7) -1.84 1.62 -39.42 9 8 1 150 185.215 5 ↓
Ref Reference (pH 7) -1.84 1.08 -37.47 9 8 1 150 185.215 5 ↓

Parameters Provided:

target.name = ABP1-3-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 'ABP1-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=ABP1-3-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results