Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_cq5uan3nonqsl3s2uv51c9jf55, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-phenyl-imidazo[2,1-f]pyrimidine-8-ca 5-[[(1S,2S)-2-aminocyclohexyl]am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.29 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.28 Binding ≤ 10μM
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 200 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 28 0.29 Binding ≤ 1μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 41 0.28 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 28 0.29 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 41 0.28 Binding ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 200 0.25 Functional ≤ 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) 3.42 9.89 -66.73 7 10 1 143 502.599 8 ↓
Lo Low (pH 4.5-6) 3.42 10.25 -114.53 8 10 2 145 503.607 8 ↓

Analogs

40862654
40862654

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[2,1-f]pyrimidine-8-carboxamide 5-[[(1S,2S)-2-aminocyclohexyl]am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 480 0.31 Binding ≤ 10μM
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 200 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 6 0.40 Binding ≤ 1μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 480 0.31 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 6 0.40 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 480 0.31 Binding ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 200 0.32 Functional ≤ 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) 2.53 8.9 -63.91 7 8 1 125 394.503 5 ↓
Lo Low (pH 4.5-6) 2.53 9.29 -113.62 8 8 2 126 395.511 5 ↓

Analogs

40862638
40862638

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[2,1-f]pyrimidine-8-carboxamide 5-[[(1S,2S)-2-aminocyclohexyl]am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.36 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 730 0.30 Binding ≤ 10μM
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 150 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 30 0.36 Binding ≤ 1μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 730 0.30 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 30 0.36 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 730 0.30 Binding ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 150 0.33 Functional ≤ 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) 1.96 7.62 -61.14 7 8 1 125 402.429 5 ↓
Lo Low (pH 4.5-6) 1.96 8.02 -113.08 8 8 2 126 403.437 5 ↓

Analogs

40848303
40848303

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(4-methoxyanilino)imidazo[2,1-f]pyrimidine-8-carboxamide 5-[[(1S,2S)-2-aminocyclohexyl]am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 92 0.34 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 4100 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 92 0.34 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 92 0.34 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 4100 0.26 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) 1.76 7.02 -63.52 7 9 1 134 396.475 6 ↓
Lo Low (pH 4.5-6) 1.76 7.41 -114.33 8 9 2 135 397.483 6 ↓

Analogs

3941372
3941372
40940388
40940388

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(3-methoxyanilino)imidazo[2,1-f]pyrimidine-8-carboxamide 5-[[(1S,2S)-2-aminocyclohexyl]am…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.36 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 30 0.36 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 30 0.36 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 1700 0.28 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) 1.74 7.03 -67.43 7 9 1 134 396.475 6 ↓
Lo Low (pH 4.5-6) 1.74 7.41 -118.28 8 9 2 135 397.483 6 ↓

Analogs

40939647
40939647

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3,5-dimethoxyanilino)-5-[[(1S,2S)-2-hydroxycyclohexyl]amino]imidazo[2,1-f]pyrimidine-8-carboxamid 7-(3,5-dimethoxyanilino)-5-[[(1S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 720 0.28 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 720 0.28 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 720 0.28 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 1800 0.26 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 5.59 -16.35 5 10 0 136 426.477 7 ↓
Lo Low (pH 4.5-6) 2.23 5.99 -39.73 6 10 1 137 427.485 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-7-methoxy-2-phenyl-imidazo[2,1-f]pyrimidin-3-amine N-cyclopentyl-7-methoxy-2-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.63 9.07 -8.87 1 5 0 51 308.385 4 ↓
Lo Low (pH 4.5-6) 3.63 9.49 -23.95 2 5 1 53 309.393 4 ↓
Lo Low (pH 4.5-6) 3.63 9.25 -41.62 2 5 1 56 309.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-7-methoxy-2-phenyl-imidazo[2,1-f]pyrimidin-3-amine N-cyclohexyl-7-methoxy-2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.14 9.45 -8.61 1 5 0 51 322.412 4 ↓
Lo Low (pH 4.5-6) 4.14 9.87 -23.62 2 5 1 53 323.42 4 ↓
Lo Low (pH 4.5-6) 4.14 9.89 -42.97 2 5 1 56 323.42 4 ↓

Parameters Provided:

ring.id = 168143
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 = 168143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=168143&filter.purchasability=annotated

Embed Link to Results