UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(R)-(4-methoxyphenyl)-phenyl-methyl]-1H-indole 3-[(R)-(4-methoxyphenyl)-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-3-E Androgen Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 69 0.42 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 50 0.43 Binding ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 87 0.41 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 478 0.37 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3720 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 68.9 0.42 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 50.2 0.43 Binding ≤ 1μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 86.8 0.41 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 478 0.37 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 68.9 0.42 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 50.2 0.43 Binding ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 86.8 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 478 0.37 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 3720 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) 5.30 11.11 -7.98 1 2 0 25 313.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-(4-methoxyphenyl)-phenyl-methyl]-1H-indole 3-[(S)-(4-methoxyphenyl)-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-3-E Androgen Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 69 0.42 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 50 0.43 Binding ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 87 0.41 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 478 0.37 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3720 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 68.9 0.42 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 50.2 0.43 Binding ≤ 1μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 86.8 0.41 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 478 0.37 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 68.9 0.42 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 50.2 0.43 Binding ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 86.8 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 478 0.37 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 3720 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) 5.30 11.11 -8.06 1 2 0 25 313.4 4 ↓

Parameters Provided:

ring.id = 466250
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 = 466250 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=466250&filter.purchasability=annotated

Embed Link to Results