UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36152198
36152198
36152201
36152201
36152205
36152205

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5S)-3-azido-5-[(6R)-6-methyl-5-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5S)-3-azido-5-[(6R)-6-me…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 7900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 7900 0.22 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) -2.26 -6.23 -431.87 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.89 -3.58 -352.85 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.89 -4.73 -217.66 2 18 -3 277 532.212 10 ↓

Analogs

36152201
36152201
36152205
36152205
36152194
36152194

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5S)-3-azido-5-[(6S)-6-methyl-5-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5S)-3-azido-5-[(6S)-6-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 7900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 7900 0.22 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) -2.26 -6.18 -433.98 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.89 -3.5 -356.25 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.89 -4.66 -220.79 2 18 -3 277 532.212 10 ↓

Analogs

36152205
36152205
36152194
36152194

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5R)-3-azido-5-[(6R)-6-methyl-5-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5R)-3-azido-5-[(6R)-6-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 7900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 7900 0.22 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) -2.26 -5.32 -494.02 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.89 -2.66 -385.74 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.89 -3.82 -247.56 2 18 -3 277 532.212 10 ↓

Analogs

36152194
36152194

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5R)-3-azido-5-[(6S)-6-methyl-5-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5R)-3-azido-5-[(6S)-6-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 7900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 7900 0.22 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) -2.26 -5.2 -498.03 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.89 -2.53 -391.62 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.89 -3.69 -252.6 2 18 -3 277 532.212 10 ↓

Parameters Provided:

ring.id = 73540
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 = 73540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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