UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15878789
15878789

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Popular Name: GTP-gamma-S GTP-gamma-S

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 0 0.00 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) -2.91 -2.53 -151.36 7 18 -2 288 537.233 8 ↓

Analogs

15878789
15878789

Draw Identity 99% 90% 80% 70%

Popular Name: GTP-gamma-S GTP-gamma-S

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 0 0.00 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) -2.91 -2.18 -152.66 7 18 -2 288 537.233 8 ↓
Ref Reference (pH 7) -4.08 -0.78 -227.22 5 18 -3 287 536.225 8 ↓
Ref Reference (pH 7) -2.45 -4.3 -207.21 6 18 -3 291 536.225 8 ↓

Analogs

16052058
16052058
8217391
8217391
15280332
15280332

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Popular Name: GTP-gamma-S GTP-gamma-S

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 0 0.00 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) -2.91 -2.68 -168.81 7 18 -2 288 537.233 8 ↓

Analogs

15878789
15878789

Draw Identity 99% 90% 80% 70%

Popular Name: GTP-gamma-S GTP-gamma-S

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 0 0.00 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) -2.91 -2.61 -166.3 7 18 -2 288 537.233 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: J-113397 J-113397

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 1600 0.28 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3400 0.26 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.40 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) 4.77 -0.07 -42.46 2 5 1 51 400.587 5 ↓

Parameters Provided:

target.name = OPRK-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 'OPRK-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=OPRK-5-E&target.type=B10&filter.purchasability=purchasable

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