UCSF

ZINC13491487

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 No

Popular Name: 6-[2-(4-benzyloxyphenyl)ethyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylic 6-[2-(4-benzyloxyphenyl)ethyl]-2…

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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) 3.11 11.97 -121.11 2 8 -1 123 479.534 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN2-1-E T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 10000 0.21 Binding ≤ 10μM

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