UCSF

ZINC04217451

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 27 Yes

Popular Name: Sinefungin Sinefungin

Find On: PubMed — Wikipedia — Google

CAS Number: 58944-73-3

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) -3.89 -14.07 -114.46 10 12 1 214 382.401 7 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CFA_ECOLI; FKBM_STRTA; INMT_MOUSE; RDMB_STREF; SETD2_HUMAN; SETD2_MOUSE; THRC1_ARATH ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANM1-1-E Protein-arginine N-methyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.31 Binding ≤ 10μM
SETD7-1-E Histone-lysine N-methyltransferase SETD7 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.29 Binding ≤ 10μM
Z50459-2-O Leishmania Donovani (cluster #2 Of 8), Other Other 1000 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANM1_HUMAN Q99873 Protein-arginine N-methyltransferase 1, Human 1000 0.31 Binding ≤ 1μM
SETD7_HUMAN Q8WTS6 Histone-lysine N-methyltransferase SETD7, Human 2500 0.29 Binding ≤ 10μM
ANM1_HUMAN Q99873 Protein-arginine N-methyltransferase 1, Human 1000 0.31 Binding ≤ 10μM
Z50459 Z50459 Leishmania Donovani 1000 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
RMTs methylate histone arginines

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