UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36152239
36152239
36152244
36152244
36152249
36152249

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5S)-3-azido-5-[(5R)-5-methyl-6-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5S)-3-azido-5-[(5R)-5-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 4600 0.23 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 4600 0.23 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) -2.23 -5.73 -430.81 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.31 -2.72 -360.6 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.31 -3.88 -224.55 2 18 -3 277 532.212 10 ↓

Analogs

36152244
36152244
36152249
36152249
36152236
36152236

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5S)-3-azido-5-[(5S)-5-methyl-6-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5S)-3-azido-5-[(5S)-5-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 4600 0.23 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 4600 0.23 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) -2.23 -5.66 -433.94 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.31 -2.71 -359.15 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.31 -3.87 -223.39 2 18 -3 277 532.212 10 ↓

Analogs

36152249
36152249
36152236
36152236

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5R)-3-azido-5-[(5R)-5-methyl-6-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5R)-3-azido-5-[(5R)-5-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 4600 0.23 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 4600 0.23 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) -2.23 -5.84 -492.72 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.31 -2.64 -384.18 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.31 -3.8 -245.76 2 18 -3 277 532.212 10 ↓

Analogs

36152236
36152236

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,5R)-3-azido-5-[(5S)-5-methyl-6-methylene-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2 [(2S,3R,5R)-3-azido-5-[(5S)-5-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 4600 0.23 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 4600 0.23 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) -2.23 -4.83 -492.21 0 18 -5 286 530.196 10 ↓
Mid Mid (pH 6-8) -1.31 -2.5 -383.36 1 18 -4 280 531.204 10 ↓
Lo Low (pH 4.5-6) -1.31 -3.66 -245.13 2 18 -3 277 532.212 10 ↓

Parameters Provided:

ring.id = 73563
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 = 73563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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