UCSF

ZINC12367068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

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) 2.81 0.97 -14.3 0 2 0 22 229.663 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 5400 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KAT2B_HUMAN Q92831 Histone Acetyltransferase PCAF, Human 5400 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
Constitutive Signaling by NOTCH1 PEST Domain Mutants
HATs acetylate histones
Notch-HLH transcription pathway
NOTCH1 Intracellular Domain Regulates Transcription
Pre-NOTCH Transcription and Translation
RNA Polymerase I Transcription Initiation
YAP1- and WWTR1 (TAZ)-stimulated gene expression

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

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