UCSF

ZINC00356680

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Popular Name: DY131 DY131

Find On: PubMed — Wikipedia — Google

CAS Number: 95167-41-2

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) 3.47 6.39 -14.87 2 5 0 65 311.385 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 660 0.38 Binding ≤ 10μM
ERR3-2-E Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic Eukaryotes 130 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERR3_HUMAN P62508 Estrogen-related Receptor Gamma, Human 660 0.38 Binding ≤ 1μM
ERR3_HUMAN P62508 Estrogen-related Receptor Gamma, Human 660 0.38 Binding ≤ 10μM
ERR3_HUMAN P62508 Estrogen-related Receptor Gamma, Human 130 0.42 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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