UCSF
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Analogs

3992306
3992306
4393954
4393954
4393959
4393959

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Popular Name: DNC003825 DNC003825

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITA2B-1-E Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.24 Binding ≤ 10μM
ITAV-1-E Vitronectin Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.40 Binding ≤ 10μM
ITB3-1-E Integrin Beta-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.24 Binding ≤ 10μM
ITB5-1-E Integrin Beta-5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.40 Binding ≤ 10μM
Z104292-1-O Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other Other 8 0.38 Binding ≤ 10μM
Z104292-1-O Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other Other 60 0.34 Binding ≤ 10μM
Z104292-1-O Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other Other 60 0.34 Functional ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 48 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104292 Z104292 Integrin Alpha-V/beta-3 4 0.39 Binding ≤ 1μM
ITB5_HUMAN P18084 Integrin Beta-5, Human 1.3 0.41 Binding ≤ 1μM
ITAV_HUMAN P06756 Vitronectin Receptor Alpha, Human 1.3 0.41 Binding ≤ 1μM
ITA2B_HUMAN P08514 Integrin Alpha-IIb, Human 1200 0.28 Binding ≤ 10μM
Z104292 Z104292 Integrin Alpha-V/beta-3 4 0.39 Binding ≤ 10μM
ITB3_HUMAN P05106 Integrin Beta-3, Human 1200 0.28 Binding ≤ 10μM
ITB5_HUMAN P18084 Integrin Beta-5, Human 1.3 0.41 Binding ≤ 10μM
ITAV_HUMAN P06756 Vitronectin Receptor Alpha, Human 1.3 0.41 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 48 0.34 Functional ≤ 10μM
Z104292 Z104292 Integrin Alpha-V/beta-3 60 0.34 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) 2.42 -0.98 -69.94 2 5 0 75 402.494 8 ↓

Parameters Provided:

ring.id = 245949
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 = 245949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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