UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21715405
21715405
21715420
21715420
21715422
21715422
8599898
8599898

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Popular Name: 3-phenyl-1-[(1S)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one 3-phenyl-1-[(1S)-1-phenyl-1,3,4,…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 1200 0.29 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) 5.59 13.8 -10.75 1 3 0 36 380.491 4 ↓

Analogs

21715420
21715420
21715422
21715422
21715403
21715403

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-1-[(1R)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one 3-phenyl-1-[(1R)-1-phenyl-1,3,4,…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 1200 0.29 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) 5.59 13.79 -10.8 1 3 0 36 380.491 4 ↓

Analogs

8599903
8599903
21715403
21715403
21715405
21715405
21715420
21715420
21715422
21715422

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-1-(p-tolylBLAHyl)-propan-1-one 3-phenyl-1-(p-tolylBLAHyl)-propa…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 1300 0.27 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) 6.04 14.46 -10.27 1 3 0 36 394.518 4 ↓

Analogs

21715403
21715403
21715405
21715405
21715420
21715420
21715422
21715422
21715494
21715494

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-1-(p-tolylBLAHyl)-propan-1-one 3-phenyl-1-(p-tolylBLAHyl)-propa…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 1300 0.27 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) 6.04 14.46 -10.23 1 3 0 36 394.518 4 ↓

Parameters Provided:

target.name = Z103014-1-O
target.type = F10
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 'Z103014-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z103014-1-O&target.type=F10&filter.purchasability=purchasable

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