ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EAA2-1-E	Excitatory Amino Acid Transporter 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	17	0.36	Binding ≤ 10μM
EAA3-1-E	Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	300	0.30	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.46	7.84	-66.65	4	8	-1	146	425.339	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.46	5.87	-40.89	5	8	0	143	426.347	9	↓ MOL2 SDF SMILES Flexibase

39058349

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chemstep
- 25438

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EAA2-2-E	Excitatory Amino Acid Transporter 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	0.73	Binding ≤ 10μM
EAA3-2-E	Excitatory Amino Acid Transporter 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8400	0.65	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.82	-1.16	-34.7	4	6	0	114	163.129	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.82	0.5	-102.2	2	6	-2	116	161.113	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.82	-1.49	-44.51	3	6	-1	113	162.121	4	↓ MOL2 SDF SMILES Flexibase

13831242

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	5.72	-46.01	3	6	-1	104	414.182	6	↓ MOL2 SDF SMILES Flexibase

2558026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-CCG-I L-CCG-I

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EAA2-2-E	Excitatory Amino Acid Transporter 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.69	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.64	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.69	2.66	-94.93	3	5	-1	108	158.133	3	↓ MOL2 SDF SMILES Flexibase

2506775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DL-TBOA DL-TBOA

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	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

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.22	2.86	-35.81	4	6	0	114	239.227	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = EAA2_HUMAN
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 'EAA2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=EAA2_HUMAN&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "annotation.name": "EAA2_HUMAN"        

    });
</script>