UCSF

ZINC68199923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 29 Yes

Popular Name: PF-04620110 PF-04620110

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1109276-89-2 , [1109276-89-2]

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) 2.40 7.91 -52.99 2 8 -1 121 395.439 4 ↓
Lo Low (pH 4.5-6) 2.40 5.92 -14.77 3 8 0 119 396.447 4 ↓

Vendor Notes

Note Type Comments Provided By
Target Transferase 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 19 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 16 0.38 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 16 0.38 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.