UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindoli (3R)-3-(4-chlorophenyl)-3-[[1-(h…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.27 Binding ≤ 10μM
Z104305-1-O Tumour Suppressor P53/oncoprotein Mdm2 (cluster #1 Of 1), Other Other 225 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) 4.63 13.87 -11.08 1 7 0 96 478.932 8 ↓

Analogs

36184588
36184588
15965747
15965747

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Popular Name: Nutlin-3 Nutlin-3

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.25 Binding ≤ 10μM
P53-2-E Cellular Tumor Antigen P53 (cluster #2 Of 2), Eukaryotic Eukaryotes 1390 0.20 Binding ≤ 10μM
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 0.20 Functional ≤ 10μM
Z81170-1-O LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other Other 1500 0.20 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) 5.71 11.64 -12.03 1 8 0 83 581.5 6 ↓

Analogs

8617651
8617651
15965752
15965752

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Popular Name: NSC-66811 NSC-66811

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.37 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) 4.71 -1.48 -10.34 2 3 0 45 340.426 4 ↓
Lo Low (pH 4.5-6) 4.71 -1.34 -32.85 3 3 1 46 341.434 4 ↓

Analogs

54618946
54618946
54618950
54618950
54618968
54618968
54618971
54618971
8617651
8617651

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Popular Name: NSC-66811 NSC-66811

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.37 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) 4.72 9.37 -10.3 2 3 0 45 340.426 4 ↓

Analogs

34376944
34376944

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Popular Name: (4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole (4S,5R)-4,5-bis(4-chlorophenyl)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.32 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) 6.10 12.82 -35.86 2 4 1 44 456.393 6 ↓
Mid Mid (pH 6-8) 6.10 12.02 -9.63 1 4 0 43 455.385 6 ↓

Analogs

33821372
33821372

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Popular Name: (4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole (4R,5S)-4,5-bis(4-chlorophenyl)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.32 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) 6.10 12.81 -35.64 2 4 1 44 456.393 6 ↓
Mid Mid (pH 6-8) 6.10 11.99 -8.42 1 4 0 43 455.385 6 ↓

Analogs

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Popular Name: (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluoro-phenyl)-N-[(3S)-3,4-dihydroxybutyl]-5'-(2,2-dimethyl (2'R,3S,3'S,5'R)-6-chloro-3'-(3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.29 Binding ≤ 10μM
Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other Other 400 0.24 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) 3.29 4.22 -39.24 6 7 1 115 553.482 8 ↓
Mid Mid (pH 6-8) 3.29 3.21 -18.39 5 7 0 111 552.474 8 ↓

Parameters Provided:

annotation.name = MDM2_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'MDM2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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