UCSF
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Popular Name: N-[(E)-1H-indol-3-ylmethyleneamino]-4-(3-methoxyphenyl)thiazol-2-amine N-[(E)-1H-indol-3-ylmethyleneami…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-4-E Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic Eukaryotes 414 0.36 Binding ≤ 10μM
AOFB-4-E Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic Eukaryotes 800 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 413.81 0.36 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 799.69 0.34 Binding ≤ 1μM
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 413.81 0.36 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 799.69 0.34 Binding ≤ 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) 4.14 9.17 -16.29 2 5 0 62 348.431 5 ↓

Parameters Provided:

ring.id = 66493
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 66493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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