UCSF

ZINC14974393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 Yes

Popular Name: A 922500 A 922500

Find On: PubMed — Wikipedia — Google

CAS Numbers: 959122-11-3 , [959122-11-3]

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) 5.35 11.89 -64.5 2 6 -1 98 427.48 6 ↓
Hi High (pH 8-9.5) 9.70 20.96 -7.89 1 3 0 47 576.906 15 ↓

Vendor Notes

Note Type Comments Provided By
Target Diacylglycerol Acyltransferase 1 Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_MOUSE Q9Z2A7 Diacylglycerol O-acyltransferase 1, Mouse 24 0.33 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 20 0.34 Binding ≤ 1μM
DGAT1_MOUSE Q9Z2A7 Diacylglycerol O-acyltransferase 1, Mouse 24 0.33 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 20 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of DAG and TAG
Triglyceride Biosynthesis

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

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