UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-3-butyl-1-chloro-5-[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]-5,6-dihydroimidazo[1,5-a]pyridine-7-c (5S)-3-butyl-1-chloro-5-[4-[2-(1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 10 0.33 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 10 0.33 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) 5.38 12.18 -137.75 0 8 -2 111 472.936 7 ↓
Lo Low (pH 4.5-6) 5.38 12.67 -76.49 1 8 -1 112 473.944 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-butyl-1-chloro-5-[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]-5,6-dihydroimidazo[1,5-a]pyridine-7-c (5R)-3-butyl-1-chloro-5-[4-[2-(1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 10 0.33 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 10 0.33 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) 5.38 11.96 -101.74 0 8 -2 111 472.936 7 ↓
Lo Low (pH 4.5-6) 5.38 12.13 -85.35 1 8 -1 112 473.944 7 ↓

Analogs

38576084
38576084

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Popular Name: (5S)-3-butyl-1-chloro-5-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-5,6-dihydroimidazo[1,5-a]pyridine-8-c (5S)-3-butyl-1-chloro-5-[4-[2-(2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 50 0.30 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 50 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.12 13.58 -130.89 0 8 -2 111 472.936 7 ↓
Lo Low (pH 4.5-6) 5.12 14.06 -69.53 1 8 -1 112 473.944 7 ↓

Analogs

38576082
38576082

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-butyl-1-chloro-5-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-5,6-dihydroimidazo[1,5-a]pyridine-8-c (5R)-3-butyl-1-chloro-5-[4-[2-(2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 50 0.30 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 50 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.12 13.65 -99.22 0 8 -2 111 472.936 7 ↓
Lo Low (pH 4.5-6) 5.12 14.03 -77.31 1 8 -1 112 473.944 7 ↓

Parameters Provided:

ring.id = 231185
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 231185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=231185&filter.purchasability=annotated

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