UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3874395
3874395

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Popular Name: N-FORMYL-MET-LEU-PHE N-FORMYL-MET-LEU-PHE

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.34 Binding ≤ 10μM
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.36 Functional ≤ 10μM
Q6L5J4-1-E FML2_HUMAN (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 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) -0.30 8.9 -61.02 3 8 -1 127 436.554 13 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-(benzylcarbamoylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl] (2S)-2-[[(2S)-2-[[(2S)-2-(benzyl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.22 Binding ≤ 10μM
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.23 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) 1.36 10.11 -52.37 4 9 -1 139 541.694 15 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-methoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoyl]amino]-4-methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(4-met…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.31 Binding ≤ 10μM
FPR1-1-E Formyl Peptide Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.32 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) 1.72 9.73 -55.74 4 10 -1 149 557.693 15 ↓

Parameters Provided:

target.name = FPR1-1-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 'FPR1-1-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=FPR1-1-E&target.type=B10&filter.purchasability=purchasable

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