UCSF

ZINC01656284

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 No

Popular Name: 4',4'''-Sulfonylbis(beta-chloracetanilide); Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis(2-chloro-; Acetanilide, 4',4'''-sulfonylbis(2-chloro-; BRN 2180613; LS-147964; NSC 30176; Sulfone, bis((4-chloroacetylamino)phenyl) 4',4'''-Sulfonylbis(beta-chlorac…

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Other Names:

MFCD00028183

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) 2.35 4.32 -25.48 2 6 0 92 401.271 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANM1-2-E Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1500 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANM1_HUMAN Q99873 Protein-arginine N-methyltransferase 1, Human 1500 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
RMTs methylate histone arginines

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

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