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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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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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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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 ↓

Analogs

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Popular Name: 2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxylic acid 2-phenyl-2,3-dihydro-1H-imidazo[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-2-E Formyl Peptide Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 Functional ≤ 10μM
FPR2-2-E Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 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) 1.31 4.78 -54.68 1 5 -1 70 228.231 2 ↓
Mid Mid (pH 6-8) 1.31 4.94 -47.41 2 5 0 71 229.239 2 ↓

Analogs

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Popular Name: 2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxylic acid 2-phenyl-2,3-dihydro-1H-imidazo[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-2-E Formyl Peptide Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 Functional ≤ 10μM
FPR2-2-E Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 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) 1.31 4.76 -54.64 1 5 -1 70 228.231 2 ↓
Mid Mid (pH 6-8) 1.31 4.91 -47.37 2 5 0 71 229.239 2 ↓

Parameters Provided:

annotation.name = FPR1_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'FPR1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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