UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: MI MI

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BIRC5-1-E Baculoviral IAP Repeat-containing Protein 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.32 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) 6.24 -0.77 -7.24 1 3 0 50 518.088 3 ↓

Analogs

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Popular Name: TCS PIM-1 1 TCS PIM-1 1

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BIRC5-1-E Baculoviral IAP Repeat-containing Protein 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 5700 0.32 Binding ≤ 10μM
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.44 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) 4.66 5.32 -48.47 1 4 -1 80 366.194 2 ↓
Mid Mid (pH 6-8) 4.66 6.09 -120.19 0 4 -2 83 365.186 2 ↓
Mid Mid (pH 6-8) 4.20 7.57 -36.94 1 4 -1 80 366.194 2 ↓

Parameters Provided:

target.name = BIRC5-1-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 'BIRC5-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=BIRC5-1-E&target.type=B10&filter.purchasability=purchasable

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