In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 29 | Yes |
Popular Name: 3-pyridylmethyl 3-pyridylmethyl
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) | 2.45 | 5.97 | -15.59 | 4 | 7 | 0 | 106 | 390.443 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HDA10-1-E | Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDA11-1-E | Histone Deacetylase 11 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC1-2-E | Histone Deacetylase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC2-2-E | Histone Deacetylase 2 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC4-1-E | Histone Deacetylase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC5-1-E | Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC7-1-E | Histone Deacetylase 7 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC8-1-E | Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
HDAC9-1-E | Histone Deacetylase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 2800 | 0.27 | Binding ≤ 10μM |
HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 2800 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
Circadian Clock | |
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
deactivation of the beta-catenin transactivating complex | |
Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
Factors involved in megakaryocyte development and platelet production | |
formation of the beta-catenin:TCF transactivating complex | |
G0 and Early G1 | |
HDACs deacetylate histones | |
HSF1 activation | |
NoRC negatively regulates rRNA expression | |
NOTCH1 Intracellular Domain Regulates Transcription | |
p75NTR negatively regulates cell cycle via SC1 | |
PPARA activates gene expression | |
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
repression of WNT target genes | |
REV-ERBA represses gene expression | |
RNA Polymerase I Transcription Initiation | |
RORA activates circadian gene expression | |
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
Transcriptional activation of mitochondrial biogenesis | |
Transcriptional regulation of white adipocyte differentiation |
No pre-computed analogs available. Try a structural similarity search.