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Popular Name: (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrroli (2S)-1-[(2R)-2-(benzylsulfonylam…

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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 2 0.31 Binding ≤ 10μM
KLKB1-3-E Plasma Kallikrein (cluster #3 Of 3), Eukaryotic Eukaryotes 8 0.29 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 39 0.27 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 4 0.30 Binding ≤ 10μM
TM11D-1-E Transmembrane Protease Serine 11D (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.28 Binding ≤ 10μM
TMPS2-1-E Transmembrane Protease Serine 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.28 Binding ≤ 10μM
TMPS6-1-E Transmembrane Protease Serine 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 2.4 0.31 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 55 0.26 Binding ≤ 1μM
KLKB1_HUMAN P03952 Plasma Kallikrein, Human 8.3 0.29 Binding ≤ 1μM
PLMN_HUMAN P00747 Plasminogen, Human 39 0.27 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 1.94 0.31 Binding ≤ 1μM
TM11D_HUMAN O60235 Transmembrane Protease Serine 11D, Human 19 0.28 Binding ≤ 1μM
TMPS2_HUMAN O15393 Transmembrane Protease Serine 2, Human 20 0.28 Binding ≤ 1μM
TMPS6_HUMAN Q8IU80 Transmembrane Protease Serine 6, Human 170 0.24 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 2.4 0.31 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 55 0.26 Binding ≤ 10μM
KLKB1_HUMAN P03952 Plasma Kallikrein, Human 8.3 0.29 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 39 0.27 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1.94 0.31 Binding ≤ 10μM
TM11D_HUMAN O60235 Transmembrane Protease Serine 11D, Human 19 0.28 Binding ≤ 10μM
TMPS2_HUMAN O15393 Transmembrane Protease Serine 2, Human 20 0.28 Binding ≤ 10μM
TMPS6_HUMAN Q8IU80 Transmembrane Protease Serine 6, Human 170 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) -0.91 4.74 -108.38 11 12 2 211 558.709 14 ↓

Parameters Provided:

ring.id = 189906
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 = 189906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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