UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6Z,7aR)-5-[(2R)-2,3-dihydroxypropyl]-3-[(1Z,4E,6E,8E,10S)-1-hydroxy-10-methyl-3-oxo-dodeca-1,4,6,8- (6Z,7aR)-5-[(2R)-2,3-dihydroxypr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-2-O A431 (cluster #2 Of 4), Other Other 1540 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 1540 0.19 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) 2.10 6.32 -120.91 2 10 -2 155 580.678 14 ↓
Mid Mid (pH 6-8) 1.18 8.14 -85.63 3 10 -1 148 581.686 14 ↓
Mid Mid (pH 6-8) 2.10 8.58 -125.7 3 10 -1 156 581.686 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z,7aR)-5-[(2S)-2,3-dihydroxypropyl]-3-[(1Z,4E,6E,8E,10R)-1-hydroxy-10-methyl-3-oxo-dodeca-1,4,6,8- (6Z,7aR)-5-[(2S)-2,3-dihydroxypr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-2-O A431 (cluster #2 Of 4), Other Other 1540 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 1540 0.19 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) 2.10 6.17 -120.34 2 10 -2 155 580.678 14 ↓
Mid Mid (pH 6-8) 1.18 7.8 -85.08 3 10 -1 148 581.686 14 ↓
Mid Mid (pH 6-8) 2.10 8.42 -123.8 3 10 -1 156 581.686 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z,7aR)-5-[(2S)-2,3-dihydroxypropyl]-3-[(1Z,4E,6E,8E,10S)-1-hydroxy-10-methyl-3-oxo-dodeca-1,4,6,8- (6Z,7aR)-5-[(2S)-2,3-dihydroxypr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-2-O A431 (cluster #2 Of 4), Other Other 1540 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 1540 0.19 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) 2.10 6.17 -120.36 2 10 -2 155 580.678 14 ↓
Mid Mid (pH 6-8) 2.10 8.42 -123.77 3 10 -1 156 581.686 14 ↓
Mid Mid (pH 6-8) 1.18 7.8 -85.05 3 10 -1 148 581.686 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z,7aR)-5-[(2R)-2,3-dihydroxypropyl]-3-[(1Z,4E,6E,8E,10R)-1-hydroxy-10-methyl-3-oxo-dodeca-1,4,6,8- (6Z,7aR)-5-[(2R)-2,3-dihydroxypr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-2-O A431 (cluster #2 Of 4), Other Other 1540 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 1540 0.19 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) 2.10 6.32 -120.93 2 10 -2 155 580.678 14 ↓
Mid Mid (pH 6-8) 1.18 8.14 -85.65 3 10 -1 148 581.686 14 ↓
Mid Mid (pH 6-8) 2.10 8.57 -125.66 3 10 -1 156 581.686 14 ↓

Parameters Provided:

ring.id = 188680
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 188680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=188680&filter.purchasability=annotated

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