UCSF

ZINC00012514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: 2-TEDC 2-TEDC

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CAS Number: 132465-10-2

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) 2.98 5.48 -12.25 2 5 0 91 315.35 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 90 0.45 Binding ≤ 10μM
LX12L-1-E Arachidonate 12-lipoxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.50 Binding ≤ 10μM
LX15B-1-E Arachidonate 15-lipoxygenase, Type II (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LX12L_RAT Q02759 Arachidonate 12-lipoxygenase, Rat 13 0.50 Binding ≤ 1μM
LX15B_RAT Q8K4F2 Arachidonate 15-lipoxygenase, Type II, Rat 500 0.40 Binding ≤ 1μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 90 0.45 Binding ≤ 1μM
LX12L_RAT Q02759 Arachidonate 12-lipoxygenase, Rat 13 0.50 Binding ≤ 10μM
LX15B_RAT Q8K4F2 Arachidonate 15-lipoxygenase, Type II, Rat 500 0.40 Binding ≤ 10μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 90 0.45 Binding ≤ 10μM

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

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