UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5760031
5760031
13641436
13641436
13641439
13641439
26380305
26380305
26380308
26380308

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Popular Name: Pregabalin Pregabalin

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And 32 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-4-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #4 Of 4), Eukaryotic Eukaryotes 37 0.95 Binding ≤ 10μM
CA2D1-4-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #4 Of 4), Eukaryotic Eukaryotes 83 0.90 Binding ≤ 10μM
CA2D2-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.90 Binding ≤ 10μM
CA2D2-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 83 0.90 Binding ≤ 10μM
CA2D3-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.98 Binding ≤ 10μM
CA2D3-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 83 0.90 Binding ≤ 10μM
CA2D4-1-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.98 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.90 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) 0.66 3.56 -50.02 3 3 0 68 159.229 5 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

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Popular Name: 2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid 2-[1-(aminomethyl)-3-methylcyclo…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.88 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 82 0.83 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) 0.12 3.85 -49.58 3 3 0 68 171.24 3 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

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Popular Name: 2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid 2-[1-(aminomethyl)-3-methylcyclo…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 82 0.83 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) 0.12 3.86 -50.24 3 3 0 68 171.24 3 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid 2-[1-(aminomethyl)-3-methylcyclo…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.83 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 82 0.83 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) 0.12 3.84 -50.46 3 3 0 68 171.24 3 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid 2-[1-(aminomethyl)-3-methylcyclo…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 82 0.83 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) 0.12 3.83 -51.22 3 3 0 68 171.24 3 ↓

Analogs

3932233
3932233
33961501
33961501

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Popular Name: Cyclopentaneacetic acid, 1-(aminomethyl)-3-propyl-, (1S,3R)- (9CI) Cyclopentaneacetic acid, 1-(amin…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.75 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 69 0.72 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) 1.19 5.31 -50.49 3 3 0 68 199.294 5 ↓

Analogs

3932233
3932233
33961501
33961501

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Popular Name: Cyclopentaneacetic acid, 1-(aminomethyl)-3-propyl-, (1R,3R)- (9CI) Cyclopentaneacetic acid, 1-(amin…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.75 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 69 0.72 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) 1.19 5.32 -49.7 3 3 0 68 199.294 5 ↓

Analogs

33961501
33961501
33961502
33961502
33961503
33961503
33961504
33961504
33966193
33966193

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Popular Name: gab- gab-

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.82 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) 0.60 -1.24 -52.91 3 3 0 67 185.267 3 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

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Popular Name: DNC014876 DNC014876

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.78 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) 0.63 4.55 -49.62 3 3 0 68 185.267 4 ↓

Analogs

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Popular Name: DNC014876 DNC014876

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.78 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) 0.63 4.53 -50.52 3 3 0 68 185.267 4 ↓

Analogs

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Popular Name: DNC014876 DNC014876

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.78 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 706 0.66 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) 0.63 4.55 -50.32 3 3 0 68 185.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014876 DNC014876

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.78 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 706 0.66 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) 0.63 4.51 -51.27 3 3 0 68 185.267 4 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

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Popular Name: 2-[(1R)-1-(aminomethyl)-3,3-dimethyl-cyclopentyl]acetic 2-[(1R)-1-(aminomethyl)-3,3-dime…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 3180 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) 0.54 4.31 -50.31 3 3 0 68 185.267 3 ↓

Analogs

33975407
33975407
34017481
34017481
3932233
3932233

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Popular Name: 2-[(1S)-1-(aminomethyl)-3,3-dimethyl-cyclopentyl]acetic 2-[(1S)-1-(aminomethyl)-3,3-dime…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 3180 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) 0.54 4.27 -51.64 3 3 0 68 185.267 3 ↓

Analogs

25834
25834

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Popular Name: DNC014875 DNC014875

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 420 0.81 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) 0.12 3.22 -47.44 3 3 0 68 157.213 3 ↓

Analogs

22772
22772
22774
22774
13779537
13779537
13779538
13779538
13779539
13779539

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Popular Name: Gabapentin Gabapentin

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And 53 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-4-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #4 Of 4), Eukaryotic Eukaryotes 80 0.83 Binding ≤ 10μM
CA2D2-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 70 0.83 Binding ≤ 10μM
CA2D3-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.80 Binding ≤ 10μM
CA2D4-1-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.80 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.83 Binding ≤ 10μM
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8900 0.59 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) 0.62 3.61 -46.82 3 3 0 68 171.24 3 ↓

Parameters Provided:

annotation.name = O77773_PIG
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 'O77773\\_PIG' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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