UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

578354
578354
5835514
5835514
5882354
5882354

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Popular Name: S-1153 S-1153

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 3 0.41 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 1 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 1.4 0.43 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 0.2 0.47 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) 4.45 -3.2 -10.28 2 6 0 83 451.379 8 ↓
Mid Mid (pH 6-8) 1.04 -3.04 -35.61 3 6 1 84 452.387 8 ↓
Lo Low (pH 4.5-6) 1.04 -2.93 -91.83 4 6 2 86 453.395 8 ↓

Parameters Provided:

ring.id = 221020
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 = 221020 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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