UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[5-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoic 3-[5-[(Z)-[1-(4-bromophenyl)-3-m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 1810 0.28 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) 4.73 13.48 -81.68 0 6 -1 88 450.268 4 ↓

Analogs

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Popular Name: 1-isopropylamino-3-(phenylBLAHyl)-propan-2-ol 1-isopropylamino-3-(phenylBLAHyl…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 3800 0.25 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) 3.75 10.73 -48.89 3 5 1 60 401.534 6 ↓

Analogs

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Popular Name: 4-[[2-ethoxy-4-[[1-[(2-fluorophenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]phenoxy]methyl]b 4-[[2-ethoxy-4-[[1-[(2-fluorophe…

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And 3 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 3510 0.21 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) 4.04 0.61 -62.25 1 8 -1 113 489.479 9 ↓

Analogs

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Popular Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic 3-[(4Z)-3-methyl-4-[[5-(4-nitrop…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 9190 0.23 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) 4.09 13.57 -72.82 0 9 -1 134 416.369 5 ↓

Analogs

32109797
32109797

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Popular Name: (4Z)-1-(3-chlorophenyl)-4-[[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]methylene]pyrazolidine-3,5-dione (4Z)-1-(3-chlorophenyl)-4-[[5-(4…

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 8950 0.23 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) 4.83 12.64 -18.19 1 8 0 114 437.839 4 ↓

Analogs

19814249
19814249

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Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine (5E)-1-(1,3-benzodioxol-5-yl)-5-…

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 5530 0.21 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) 3.31 6.92 -52.69 0 12 -1 162 476.377 5 ↓
Lo Low (pH 4.5-6) 2.86 9.45 -17.63 1 12 0 159 477.385 5 ↓

Parameters Provided:

target.name = FA5-1-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 'FA5-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=FA5-1-E&target.type=B10&filter.purchasability=purchasable

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