UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4632454
4632454
148136
148136

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1-amino-2,4-dicyano-pyrido[1,2-a]benzimidazol-3-yl)phenoxy]acetamide 2-[4-(1-amino-2,4-dicyano-pyrido…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PERF-1-E Perforin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5190 0.26 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) 2.31 7.5 -23.18 4 8 0 143 382.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(2-furylmethylene)-3-methyl-5-sulfanyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-7-one 9-(2-furylmethylene)-3-methyl-5-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PERF-1-E Perforin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.42 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) 2.35 7.6 -65.56 0 4 -1 56 258.278 1 ↓
Mid Mid (pH 6-8) 1.63 7.87 -40.56 1 4 0 59 259.286 1 ↓

Analogs

12446954
12446954

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-methyl-1-[(5-methyl-2-furyl)methylene]-4-thioxo-5H-furo[3,4-c]pyridin-3-one (1Z)-6-methyl-1-[(5-methyl-2-fur…

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PERF-1-E Perforin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.41 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) 2.58 8.42 -66.26 0 4 -1 56 272.305 1 ↓
Mid Mid (pH 6-8) 1.85 8.68 -40.88 1 4 0 59 273.313 1 ↓

Parameters Provided:

annotation.name = PERF_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 'PERF\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

Embed Link to Results