UCSF

ZINC40955326

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 25 Yes

Popular Name: PF915275 PF915275

Find On: PubMed — Wikipedia — Google

CAS Number: 857290-04-1

Download: MOL2 SDF SMILES Flexibase

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) 3.36 6.75 -19.67 3 6 0 112 350.403 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 750 0.34 Binding ≤ 10μM
Q56D22-1-E Hydroxysteroid 11-beta Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
Q5XX84-1-E 11-beta-hydroxysteroid Dehydrogenase Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.39 Binding ≤ 10μM
SC5A7-3-E High Affinity Choline Transporter 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 9600 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHI1_MOUSE P50172 11-beta-hydroxysteroid Dehydrogenase 1, Mouse 750 0.34 Binding ≤ 1μM
DHI1_HUMAN P28845 11-beta-hydroxysteroid Dehydrogenase 1, Human 1 0.50 Binding ≤ 1μM
Q5XX84_CANFA Q5XX84 11-beta-hydroxysteroid Dehydrogenase Type 1, Canine 120 0.39 Binding ≤ 1μM
Q56D22_MACMU Q56D22 Hydroxysteroid 11-beta Dehydrogenase 1, Macmu 100 0.39 Binding ≤ 1μM
DHI1_MOUSE P50172 11-beta-hydroxysteroid Dehydrogenase 1, Mouse 750 0.34 Binding ≤ 10μM
DHI1_HUMAN P28845 11-beta-hydroxysteroid Dehydrogenase 1, Human 1 0.50 Binding ≤ 10μM
Q5XX84_CANFA Q5XX84 11-beta-hydroxysteroid Dehydrogenase Type 1, Canine 120 0.39 Binding ≤ 10μM
SC5A7_RAT Q9JMD7 High Affinity Choline Transporter 1, Rat 9600 0.28 Binding ≤ 10μM
Q56D22_MACMU Q56D22 Hydroxysteroid 11-beta Dehydrogenase 1, Macmu 100 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucocorticoid biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.