UCSF

ZINC25973342

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 39 No

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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Download: MOL2 SDF SMILES Flexibase

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 ↓

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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPR1_HUMAN P21462 Formyl Peptide Receptor 1, Human 2 0.31 Binding ≤ 1μM
FPR1_HUMAN P21462 Formyl Peptide Receptor 1, Human 2 0.31 Binding ≤ 10μM
FPR1_HUMAN P21462 Formyl Peptide Receptor 1, Human 1 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Formyl peptide receptors bind formyl peptides and many other ligands
G alpha (i) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.