UCSF

ZINC29056295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 29 No

Popular Name: eosin YS dye eosin YS dye

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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) 7.13 10.39 -94.2 0 5 -2 93 645.879 2 ↓
Mid Mid (pH 6-8) 7.13 10.41 -51.76 1 5 -1 91 646.887 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links S22AK_MOUSE 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 1400 0.28 Binding ≤ 10μM
S22A6-3-E Solute Carrier Family 22 Member 6 (cluster #3 Of 3), Eukaryotic Eukaryotes 90 0.34 Binding ≤ 10μM
S22AK-2-E Solute Carrier Family 22 Member 20 (cluster #2 Of 2), Eukaryotic Eukaryotes 4400 0.26 Binding ≤ 10μM
Q5VLE3-2-F RmtA (cluster #2 Of 2), Fungal Fungi 180 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q5VLE3_EMEND Q5VLE3 RmtA, Emend 180 0.33 Binding ≤ 1μM
S22A6_MOUSE Q8VC69 Solute Carrier Family 22 Member 6, Mouse 89.1250938 0.34 Binding ≤ 1μM
ANM1_HUMAN Q99873 Protein-arginine N-methyltransferase 1, Human 1400 0.28 Binding ≤ 10μM
Q5VLE3_EMEND Q5VLE3 RmtA, Emend 180 0.33 Binding ≤ 10μM
S22AK_MOUSE Q80UJ1 Solute Carrier Family 22 Member 20, Mouse 4365.15832 0.26 Binding ≤ 10μM
S22A6_MOUSE Q8VC69 Solute Carrier Family 22 Member 6, Mouse 89.1250938 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Organic anion transport
RMTs methylate histone arginines

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