UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1532560
1532560

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Popular Name: ARCAINE SULFATE ARCAINE SULFATE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-1-E Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMD3B-1-E Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMDE1-4-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMDE2-5-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMDE3-4-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMDE4-1-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic Eukaryotes 9130 0.59 Binding ≤ 10μM
NMDZ1-5-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 9130 0.59 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) -1.42 0.75 -75.07 10 6 2 127 174.252 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-Aminopropyl)adamantane hydrochloride 1-(3-Aminopropyl)adamantane hydr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-1-E Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMD3B-1-E Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMDE1-2-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMDE2-2-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMDE3-4-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMDE4-1-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
NMDZ1-5-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 9500 0.50 Binding ≤ 10μM
Z50418-3-O Trypanosoma Brucei (cluster #3 Of 6), Other Other 1000 0.60 Functional ≤ 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) 2.60 -2.06 -43 3 1 1 27 194.342 3 ↓

Analogs

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Popular Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]ethanamine 2-[(3R,5S)-3,5-dimethyl-1-adaman…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-1-E Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMD3B-1-E Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMDE1-2-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMDE2-2-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMDE3-4-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMDE4-1-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic Eukaryotes 790 0.57 Binding ≤ 10μM
NMDZ1-5-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 790 0.57 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) 2.45 5.89 -45.85 3 1 1 28 208.369 2 ↓

Analogs

31771168
31771168
2379538
2379538

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Popular Name: (3S,5R)-N,3,5-trimethyladamantan-1-amine (3S,5R)-N,3,5-trimethyladamantan…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-2-E Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMD3B-2-E Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMDE1-2-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMDE2-2-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMDE3-4-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMDE4-2-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic Eukaryotes 1610 0.58 Binding ≤ 10μM
NMDZ1-5-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 1610 0.58 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) 3.15 6.36 -36.94 2 1 1 17 194.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-Adamantyl)ethanamine 2-(1-Adamantyl)ethanamine

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Vendors

And 31 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-1-E Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMD3B-1-E Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMDE1-2-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMDE2-2-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMDE3-4-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMDE4-1-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic Eukaryotes 3800 0.58 Binding ≤ 10μM
NMDZ1-5-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic Eukaryotes 3800 0.58 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) 2.33 -2.22 -44.3 3 1 1 27 180.315 2 ↓

Parameters Provided:

target.name = NMDZ1-5-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'NMDZ1-5-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=NMDZ1-5-E&target.type=B10&filter.purchasability=purchasable

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