UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: WAY 213613 WAY 213613

Find On: PubMed — Wikipedia — Google

Vendors

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 5000 0.30 Binding ≤ 10μM
EAA2-1-E Excitatory Amino Acid Transporter 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.40 Binding ≤ 10μM
EAA3-1-E Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 35 0.42 Binding ≤ 10μM

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) 2.01 6.03 -34.53 4 6 0 106 415.19 6 ↓
Hi High (pH 8-9.5) 2.01 5.72 -46.01 3 6 -1 104 414.182 6 ↓

Analogs

40914197
40914197
40914199
40914199
40914200
40914200

Draw Identity 99% 90% 80% 70%

Popular Name: UCPH101 UCPH101

Find On: PubMed — Wikipedia — Google

Vendors

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 661 0.27 Binding ≤ 10μM

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) 4.73 10.49 -15.9 2 5 0 85 422.484 3 ↓
Lo Low (pH 4.5-6) 4.73 10.87 -61.12 3 5 1 87 423.492 3 ↓

Analogs

40914199
40914199
40914200
40914200
40914195
40914195

Draw Identity 99% 90% 80% 70%

Popular Name: UCPH101 UCPH101

Find On: PubMed — Wikipedia — Google

Vendors

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 661 0.27 Binding ≤ 10μM

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) 4.73 10.51 -15.69 2 5 0 85 422.484 3 ↓
Lo Low (pH 4.5-6) 4.73 10.88 -60.71 3 5 1 87 423.492 3 ↓

Analogs

40914200
40914200
40914195
40914195
40914197
40914197

Draw Identity 99% 90% 80% 70%

Popular Name: UCPH101 UCPH101

Find On: PubMed — Wikipedia — Google

Vendors

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 661 0.27 Binding ≤ 10μM

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) 4.73 10.49 -15.47 2 5 0 85 422.484 3 ↓
Lo Low (pH 4.5-6) 4.73 10.85 -60.44 3 5 1 87 423.492 3 ↓

Analogs

40914195
40914195
40914197
40914197

Draw Identity 99% 90% 80% 70%

Popular Name: UCPH101 UCPH101

Find On: PubMed — Wikipedia — Google

Vendors

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 661 0.27 Binding ≤ 10μM

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) 4.73 10.49 -15.71 2 5 0 85 422.484 3 ↓
Lo Low (pH 4.5-6) 4.73 10.87 -60.8 3 5 1 87 423.492 3 ↓

Parameters Provided:

annotation.name = EAA1_RAT
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'EAA1\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=EAA1_RAT&filter.purchasability=purchasable

Embed Link to Results