UCSF

ZINC02049688

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 36 No

Popular Name: {4-[(5-(4-chlorophenyl)-6-(isopropoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid {4-[(5-(4-chlorophenyl)-6-(isopr…

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Other Names:

MFCD02374276

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) 5.98 1.89 -50.45 0 8 -1 110 525.99 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN7-1-E Protein-tyrosine Phosphatase LC-PTP (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN7_HUMAN P35236 Protein-tyrosine Phosphatase LC-PTP, Human 1000 0.23 Binding ≤ 1μM
PTN7_HUMAN P35236 Protein-tyrosine Phosphatase LC-PTP, Human 1000 0.23 Binding ≤ 10μM

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