UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: HTS 01037 HTS 01037

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 670 0.39 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 3400 0.35 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 9070 0.32 Binding ≤ 10μM
FABPI-1-E Fatty Acid Binding Protein Intestinal (cluster #1 Of 3), Eukaryotic Eukaryotes 6570 0.33 Binding ≤ 10μM
FABPL-2-E Fatty Acid-binding Protein, Liver (cluster #2 Of 4), Eukaryotic Eukaryotes 8170 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) 2.24 7.54 -49.29 1 6 -1 96 336.37 6 ↓

Analogs

4325133
4325133

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Popular Name: 2-({2-[(2-chloro-6-phenoxybenzyl)amino]-2-oxoethyl}sulfanyl)acetic acid 2-({2-[(2-chloro-6-phenoxybenzyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 3100 0.32 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 1900 0.33 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) 2.92 8.86 -54.42 1 5 -1 78 364.83 8 ↓

Analogs

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Popular Name: [2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-yloxy]acetic acid [2'-(5-ethyl-3,4-diphenyl-pyrazo…

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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
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 7 0.32 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 350 0.25 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 3470 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) 7.09 3.42 -56.54 0 5 -1 67 473.552 8 ↓

Parameters Provided:

target.name = FABPH-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 'FABPH-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=FABPH-1-E&target.type=B10&filter.purchasability=purchasable

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