UCSF

ZINC26740555

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 17 Yes

Popular Name: 2-(4-chlorophenyl)-1,2-benzothiazol-3-one 2-(4-chlorophenyl)-1,2-benzothia…

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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) 3.84 8.53 -9.99 0 2 0 22 261.733 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MPI-1-E Mannose-6-phosphate Isomerase (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.47 Binding ≤ 10μM
Z50591-1-O Bos Taurus (cluster #1 Of 2), Other Other 3600 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MPI_HUMAN P34949 Mannose-6-phosphate Isomerase, Human 1900 0.47 Binding ≤ 10μM
Z50591 Z50591 Bos Taurus 3600 0.45 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of GDP-mannose

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

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