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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2R)-4-[5-[(2S,6S)-2,6-dimethyl-1-piperidyl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine 4-[(2R)-4-[5-[(2S,6S)-2,6-dimeth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 7900 0.22 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1700 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 7900 0.22 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1700 0.24 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) 3.84 11.78 -76.02 5 6 2 86 450.627 8 ↓

Analogs

60012658
60012658
60012659
60012659
60012660
60012660
27326400
27326400

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Popular Name: (2R)-4-[5-[(2R,6R)-2,6-dimethyl-1-piperidyl]pentyl]-2-(4-methoxyphenyl)-1,4-benzoxazin-3-one (2R)-4-[5-[(2R,6R)-2,6-dimethyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 4900 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 4900 0.23 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) 5.51 13.24 -37.29 1 5 1 43 437.604 8 ↓

Analogs

13834502
13834502

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Popular Name: 3-[(2R)-4-[5-[(2S,6S)-2,6-dimethyl-1-piperidyl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]-N-hydroxy-benzamid 3-[(2R)-4-[5-[(2S,6S)-2,6-dimeth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 5600 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 5600 0.22 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) 3.88 10.66 -73.27 5 7 2 92 466.626 9 ↓
Mid Mid (pH 6-8) 3.88 11.7 -52.49 4 7 1 95 465.618 9 ↓

Analogs

13834506
13834506
13834507
13834507

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Popular Name: 3-[(2R)-4-[5-[(2R,6R)-2,6-dimethyl-1-piperidyl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]-N'-methyl-benzamid 3-[(2R)-4-[5-[(2R,6R)-2,6-dimeth…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 2800 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 2800 0.23 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) 4.06 12.28 -71.6 4 6 2 74 464.654 8 ↓

Parameters Provided:

ring.id = 51996
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 = 51996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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