UCSF

ZINC00386008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 Yes

Popular Name: 5-methyl-3-o-anisyl-1,3-benzoxazol-2-one 5-methyl-3-o-anisyl-1,3-benzoxaz…

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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) 3.27 9.18 -12.06 0 4 0 44 269.3 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HG2A-1-E HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.49 Binding ≤ 10μM
MIF-1-E Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic Eukaryotes 90 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HG2A_HUMAN P04233 HLA-DR Antigens-associated Invariant Chain, Human 90 0.49 Binding ≤ 1μM
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 90 0.49 Binding ≤ 1μM
HG2A_HUMAN P04233 HLA-DR Antigens-associated Invariant Chain, Human 90 0.49 Binding ≤ 10μM
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 90 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
MHC class II antigen presentation

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