UCSF
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Popular Name: DNC005743 DNC005743

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6338 0.49 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 604 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 604 0.58 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 6338 0.49 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 604 0.58 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) 1.84 7.25 -9 0 3 0 31 195.225 1 ↓
Mid Mid (pH 6-8) 1.84 7.75 -38.93 1 3 1 32 196.233 1 ↓
Lo Low (pH 4.5-6) 1.84 7.53 -37.34 1 3 1 32 196.233 1 ↓

Parameters Provided:

ring.id = 222404
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 = 222404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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