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

Analogs

36143616
36143616
13580379
13580379
26970423
26970423

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-2-(4-amino-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(benzylsulfanylmethyl)pyrrolidine-3,4-di (2S,3R,4S,5S)-2-(4-amino-3H-pyrr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTAP-1-E S-methyl-5-thioadenosine Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTAP_HUMAN Q13126 S-methyl-5-thioadenosine Phosphorylase, Human 26 0.41 Binding ≤ 1μM
MTAP_HUMAN Q13126 S-methyl-5-thioadenosine Phosphorylase, Human 26 0.41 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) 0.51 2.88 -44.1 7 7 1 125 372.474 5 ↓
Mid Mid (pH 6-8) 0.51 1.76 -12.5 6 7 0 120 371.466 5 ↓

Analogs

36143613
36143613

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-2-(4-amino-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(benzylsulfanylmethyl)pyrrolidine-3,4-di (2S,3R,4S,5R)-2-(4-amino-3H-pyrr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTAP-1-E S-methyl-5-thioadenosine Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTAP_HUMAN Q13126 S-methyl-5-thioadenosine Phosphorylase, Human 26 0.41 Binding ≤ 1μM
MTAP_HUMAN Q13126 S-methyl-5-thioadenosine Phosphorylase, Human 26 0.41 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) 0.51 2.77 -42.34 7 7 1 125 372.474 5 ↓
Mid Mid (pH 6-8) 0.51 1.6 -12.44 6 7 0 120 371.466 5 ↓

Parameters Provided:

ring.id = 68589
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 = 68589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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