UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(Phosphonomethyl)pentanedioic acid 2-(Phosphonomethyl)pentanedioic …

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
FOLH1-2-E Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
FOLH1-2-E Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
NALD2-1-E NAALADase II (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
Z50597-2-O Rattus Norvegicus (cluster #2 Of 12), Other Other 0 0.00 Functional ≤ 10μM
Z50597-2-O Rattus Norvegicus (cluster #2 Of 12), Other Other 1 0.90 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) -1.54 2.08 -195.36 1 7 -3 141 223.097 6 ↓
Hi High (pH 8-9.5) -1.54 3.17 -322.37 0 7 -4 143 222.089 6 ↓
Lo Low (pH 4.5-6) -1.54 0.1 -121.68 2 7 -2 138 224.105 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(Phosphonomethyl)pentanedioic acid 2-(Phosphonomethyl)pentanedioic …

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
FOLH1-2-E Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
FOLH1-2-E Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 30 0.75 Binding ≤ 10μM
NALD2-1-E NAALADase II (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
Z50597-2-O Rattus Norvegicus (cluster #2 Of 12), Other Other 1 0.90 Functional ≤ 10μM
Z50597-2-O Rattus Norvegicus (cluster #2 Of 12), Other Other 70 0.72 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) -1.54 2.19 -197.24 1 7 -3 141 223.097 6 ↓
Lo Low (pH 4.5-6) -1.54 0.21 -117.84 2 7 -2 138 224.105 6 ↓

Parameters Provided:

annotation.name = NALD2_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'NALD2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=NALD2_HUMAN&filter.purchasability=purchasable

Embed Link to Results