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Analogs

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Popular Name: 2-amino-N-[(1S)-2-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)azetidin-1-yl]-1-[(4-methoxyphenyl)meth 2-amino-N-[(1S)-2-[(2S)-2-(5,6-d…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PCP-1-E Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3320 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PCP_MOUSE Q7TMR0 Lysosomal Pro-X Carboxypeptidase, Mouse 251 0.27 Binding ≤ 1μM
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 829 0.25 Binding ≤ 1μM
PCP_MOUSE Q7TMR0 Lysosomal Pro-X Carboxypeptidase, Mouse 251 0.27 Binding ≤ 10μM
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 829 0.25 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) 3.41 7.85 -62.45 5 8 1 115 505.426 7 ↓
Mid Mid (pH 6-8) 3.41 7.46 -23.79 4 8 0 113 504.418 7 ↓
Lo Low (pH 4.5-6) 3.41 8.2 -97.3 6 8 2 116 506.434 7 ↓

Analogs

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Popular Name: 2-amino-N-[(1S,2S)-1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)azetidine-1-carbonyl]-2-phenyl-propy 2-amino-N-[(1S,2S)-1-[(2S)-2-(5,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PCP-1-E Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 67 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 37 0.32 Binding ≤ 1μM
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 37 0.32 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) 4.15 9.22 -59.39 5 7 1 106 489.427 6 ↓
Mid Mid (pH 6-8) 4.15 8.9 -23.67 4 7 0 104 488.419 6 ↓
Lo Low (pH 4.5-6) 4.15 9.56 -92.51 6 7 2 107 490.435 6 ↓

Parameters Provided:

ring.id = 369544
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 = 369544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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