UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12501004
12501004
22066422
22066422
22066425
22066425
1562441
1562441

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Popular Name: Ribavirin 5'-monophosphate dilithium salt Ribavirin 5'-monophosphate dilit…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH1-1-E Inosine-5'-monophosphate Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4180 0.36 Binding ≤ 10μM
IMDH2-1-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4180 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH1_MOUSE P50096 Inosine-5'-monophosphate Dehydrogenase 1, Mouse 2240 0.38 Binding ≤ 10μM
IMDH2_MOUSE P24547 Inosine-5'-monophosphate Dehydrogenase 2, Mouse 2240 0.38 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) -3.44 -9.8 -151.77 4 12 -2 196 322.17 5 ↓

Analogs

12402862
12402862
12402863
12402863
40527549
40527549
40527550
40527550
49052340
49052340

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Popular Name: DNC001210 DNC001210

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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) -4.90 -6.56 -370.7 4 18 -4 295 480.112 9 ↓
Mid Mid (pH 6-8) -4.90 -7.72 -234.95 5 18 -3 292 481.12 9 ↓

Parameters Provided:

ring.id = 101502
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 = 101502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101502&filter.purchasability=annotated

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