UCSF

ZINC03954314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 32 No

Popular Name: 1-amino-4-(3-(aminosulfonyl)anilino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid; nsc117079 1-amino-4-(3-(aminosulfonyl)anil…

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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) 0.64 -0.39 -48.96 5 10 -1 190 472.48 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PHLP2-2-E PH Domain Leucine-rich Repeat-containing Protein Phosphatase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PHLP2_HUMAN Q6ZVD8 PH Domain Leucine-rich Repeat-containing Protein Phosphatase 2, Human 4000 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Negative regulation of the PI3K/AKT network

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