UCSF

ZINC02184757

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 27 Yes

Popular Name: N-(4-butylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide N-(4-butylphenyl)-2-oxo-1,2-dihy…

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Other Names:

MFCD03037857

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) 5.33 7.27 -12.71 2 5 0 79 380.469 6 ↓
Mid Mid (pH 6-8) 5.33 7.3 -46.57 1 5 -1 81 379.461 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P96830-1-B Phosphotyrosine-protein Phosphatase PTPB (cluster #1 Of 1), Bacterial Bacteria 1400 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P96830_MYCTU P96830 Phosphotyrosine-protein Phosphatase PTPB, Myctu 1100 0.31 Binding ≤ 10μM

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

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