UCSF

ZINC13584960

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 11 Yes

Popular Name: DNC009552 DNC009552

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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) 1.78 3.8 -4 2 1 0 26 151.184 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-1-E Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic Eukaryotes 3600 0.69 Binding ≤ 10μM
O82865-1-B Tyramine Oxidase (cluster #1 Of 1), Bacterial Bacteria 3600 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 190 0.86 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 190 0.86 Binding ≤ 10μM
O82865_MICLU O82865 Tyramine Oxidase, Miclu 3600 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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

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