UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ARP 100 ARP 100

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And 6 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP1-1-E Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2900 0.31 Binding ≤ 10μM
MMP13-3-E Matrix Metalloproteinase 13 (cluster #3 Of 4), Eukaryotic Eukaryotes 45 0.41 Binding ≤ 10μM
MMP14-2-E Matrix Metalloproteinase 14 (cluster #2 Of 3), Eukaryotic Eukaryotes 2300 0.32 Binding ≤ 10μM
MMP16-1-E Matrix Metalloproteinase 16 (cluster #1 Of 1), Eukaryotic Eukaryotes 900 0.34 Binding ≤ 10μM
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 13 0.44 Binding ≤ 10μM
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 5900 0.29 Binding ≤ 10μM
MMP8-3-E Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic Eukaryotes 260 0.37 Binding ≤ 10μM
MMP9-1-E Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic Eukaryotes 200 0.38 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) 2.53 4.59 -15.92 2 7 0 96 364.423 7 ↓
Hi High (pH 8-9.5) 2.53 5.81 -53.13 1 7 -1 99 363.415 7 ↓

Analogs

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Popular Name: 2-(quinolin-2-yl)acetic acid 2-(quinolin-2-yl)acetic acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP13-2-E Matrix Metalloproteinase 13 (cluster #2 Of 4), Eukaryotic Eukaryotes 820 0.33 Binding ≤ 10μM
MMP14-2-E Matrix Metalloproteinase 14 (cluster #2 Of 3), Eukaryotic Eukaryotes 6000 0.28 Binding ≤ 10μM
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 980 0.32 Binding ≤ 10μM
MMP8-3-E Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic Eukaryotes 260 0.35 Binding ≤ 10μM
MMP9-1-E Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic Eukaryotes 7100 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) 2.83 5.47 -40.47 2 6 -1 107 396.425 8 ↓
Mid Mid (pH 6-8) 2.83 6.45 -121.43 1 6 -2 109 395.417 8 ↓

Analogs

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Popular Name: N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID N-ISOBUTYL-N-[4-METHOXYPHENYLSUL…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA17-2-E ADAM17 (cluster #2 Of 2), Eukaryotic Eukaryotes 2300 0.38 Binding ≤ 10μM
MMP1-1-E Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
MMP12-1-E Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.56 Binding ≤ 10μM
MMP13-2-E Matrix Metalloproteinase 13 (cluster #2 Of 4), Eukaryotic Eukaryotes 3 0.57 Binding ≤ 10μM
MMP14-2-E Matrix Metalloproteinase 14 (cluster #2 Of 3), Eukaryotic Eukaryotes 13 0.53 Binding ≤ 10μM
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 13 0.53 Binding ≤ 10μM
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 133 0.46 Binding ≤ 10μM
MMP8-3-E Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic Eukaryotes 9 0.54 Binding ≤ 10μM
MMP9-1-E Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.55 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) 1.22 1.23 -22.17 2 7 0 96 316.379 7 ↓
Hi High (pH 8-9.5) 1.22 2.41 -64.1 1 7 -1 99 315.371 7 ↓

Analogs

4501578
4501578

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Popular Name: DNC009408 DNC009408

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP13-4-E Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic Eukaryotes 280 0.37 Binding ≤ 10μM
MMP8-3-E Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic Eukaryotes 1024 0.34 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) 0.36 7.17 -107.22 1 7 -2 126 361.375 8 ↓
Lo Low (pH 4.5-6) 0.36 5.2 -49.29 2 7 -1 124 362.383 8 ↓

Analogs

4501577
4501577

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Popular Name: DNC009408 DNC009408

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ATS4-1-E ADAMTS4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.33 Binding ≤ 10μM
MMP13-4-E Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic Eukaryotes 280 0.37 Binding ≤ 10μM
MMP8-3-E Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic Eukaryotes 1024 0.34 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) 0.36 7.1 -111.2 1 7 -2 126 361.375 8 ↓
Lo Low (pH 4.5-6) 0.36 5.13 -57.9 2 7 -1 124 362.383 8 ↓

Parameters Provided:

target.name = MMP8-3-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'MMP8-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=MMP8-3-E&target.type=B10&filter.purchasability=purchasable

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