UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DNC006343 DNC006343

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-1-E Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 639 0.58 Binding ≤ 10μM
C11B2-2-E Cytochrome P450 11B2 (cluster #2 Of 2), Eukaryotic Eukaryotes 334 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 639 0.58 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 334 0.60 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 639 0.58 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 334 0.60 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 9.66 -6.02 0 2 0 18 196.253 1 ↓
Mid Mid (pH 6-8) 2.40 10.16 -32.53 1 2 1 19 197.261 1 ↓

Analogs

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Popular Name: 1-(3,4-Dihydro-6-methoxy-2-naphthalenyl)-1H-imidazole; 1H-Imidazole, 1-(3,4-dihydro-6-methoxy-2-naphthalenyl)-; BRN 4748478; LS-78463 1-(3,4-Dihydro-6-methoxy-2-napht…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-1-E Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 763 0.50 Binding ≤ 10μM
C11B2-2-E Cytochrome P450 11B2 (cluster #2 Of 2), Eukaryotic Eukaryotes 411 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 763 0.50 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 411 0.53 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 763 0.50 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 411 0.53 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) 2.44 8.96 -7.17 0 3 0 27 226.279 2 ↓
Mid Mid (pH 6-8) 2.44 9.46 -34.53 1 3 1 28 227.287 2 ↓

Parameters Provided:

ring.id = 226615
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 = 226615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=226615&filter.purchasability=annotated

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