UCSF

ZINC02506775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: DL-TBOA DL-TBOA

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03093854

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) -2.22 4.82 -55.21 3 6 -1 117 238.219 6 ↓
Lo Low (pH 4.5-6) -2.22 2.86 -35.81 4 6 0 114 239.227 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EAA1-1-E Excitatory Amino Acid Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.48 Binding ≤ 10μM
EAA1-1-E Excitatory Amino Acid Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3162 0.45 Binding ≤ 10μM
EAA2-1-E Excitatory Amino Acid Transporter 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3800 0.45 Binding ≤ 10μM
EAA2-1-E Excitatory Amino Acid Transporter 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
EAA3-1-E Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
EAA3-1-E Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
EAA3-1-E Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 9300 0.41 Binding ≤ 10μM
EAA4-1-E Excitatory Amino Acid Transporter 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.48 Binding ≤ 10μM
EAA5-1-E Excitatory Amino Acid Transporter 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.48 Binding ≤ 10μM
SATT-1-E Neutral Amino Acid Transporter A (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EAA1_HUMAN P43003 Excitatory Amino Acid Transporter 1, Human 2900 0.46 Binding ≤ 10μM
EAA2_HUMAN P43004 Excitatory Amino Acid Transporter 2, Human 1995.26231 0.47 Binding ≤ 10μM
EAA3_HUMAN P43005 Excitatory Amino Acid Transporter 3, Human 7000 0.42 Binding ≤ 10μM
EAA4_HUMAN P48664 Excitatory Amino Acid Transporter 4, Human 1300 0.48 Binding ≤ 10μM
EAA5_HUMAN O00341 Excitatory Amino Acid Transporter 5, Human 1300 0.48 Binding ≤ 10μM
SATT_HUMAN P43007 Neutral Amino Acid Transporter A, Human 1300 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amino acid transport across the plasma membrane
Astrocytic Glutamate-Glutamine Uptake And Metabolism
Glutamate Neurotransmitter Release Cycle
Transport of inorganic cations/anions and amino acids/oligopeptides

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

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