UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36152394
36152394
36152400
36152400
36152404
36152404
27549159
27549159

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Popular Name: [[[(1S,2Z)-2-[(6-aminopurin-9-yl)methylene]cyclopropyl]methoxy-hydroxy-phosphoryl]-hydroxy-phosphory [[[(1S,2Z)-2-[(6-aminopurin-9-yl…

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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 320 0.35 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 320 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 1700 0.31 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) -2.40 1.45 -242.12 3 13 -3 219 422.147 6 ↓
Mid Mid (pH 6-8) -2.40 2.55 -403.9 2 13 -4 222 421.139 6 ↓

Analogs

36152400
36152400
36152404
36152404
36152387
36152387

Draw Identity 99% 90% 80% 70%

Popular Name: [[[(1R,2Z)-2-[(6-aminopurin-9-yl)methylene]cyclopropyl]methoxy-hydroxy-phosphoryl]-hydroxy-phosphory [[[(1R,2Z)-2-[(6-aminopurin-9-yl…

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 320 0.35 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 320 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 1700 0.31 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) -2.40 1.45 -235.24 3 13 -3 219 422.147 6 ↓
Mid Mid (pH 6-8) -2.40 2.55 -394.22 2 13 -4 222 421.139 6 ↓

Analogs

36152404
36152404
36152387
36152387

Draw Identity 99% 90% 80% 70%

Popular Name: [[[(1S,2E)-2-[(6-aminopurin-9-yl)methylene]cyclopropyl]methoxy-hydroxy-phosphoryl]-hydroxy-phosphory [[[(1S,2E)-2-[(6-aminopurin-9-yl…

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 10000 0.27 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 10000 0.27 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) -2.40 1.54 -237.68 3 13 -3 219 422.147 6 ↓
Mid Mid (pH 6-8) -2.40 2.65 -399.47 2 13 -4 222 421.139 6 ↓

Parameters Provided:

ring.id = 73643
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 = 73643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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