| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2008 | 45 | No |
Popular Name: Apicidin Apicidin
| 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) | 3.41 | 12.84 | -21.62 | 3 | 11 | 0 | 139 | 623.795 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAH-1-B | Histone Deacetylase-like Amidohydrolase (cluster #1 Of 2), Bacterial | Bacteria | 9200 | 0.16 | Binding ≤ 10μM |
| HDA10-2-E | Histone Deacetylase 10 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| HDA11-3-E | Histone Deacetylase 11 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 44 | 0.23 | Binding ≤ 10μM |
| HDAC2-1-E | Histone Deacetylase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.26 | Binding ≤ 10μM |
| HDAC4-2-E | Histone Deacetylase 4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4 | 0.26 | Binding ≤ 10μM |
| HDAC5-2-E | Histone Deacetylase 5 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9600 | 0.16 | Binding ≤ 10μM |
| HDAC7-2-E | Histone Deacetylase 7 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| HDAC8-1-E | Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 760 | 0.19 | Binding ≤ 10μM |
| HDAC9-2-E | Histone Deacetylase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| NCOR2-1-E | Nuclear Receptor Corepressor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 16 | 0.24 | Binding ≤ 10μM |
| Q7YY07-1-E | Histone Deacetylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.25 | Binding ≤ 10μM |
| Q7YY76-1-E | Histone Deacetylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| Q9XYC7-1-E | Histone Deacetylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| TF-1-E | Coagulation Factor III (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.21 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 33 | 0.23 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 290 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TF_HUMAN | P13726 | Coagulation Factor III, Human | 150 | 0.21 | Binding ≤ 1μM |
| Q7YY07_CRYPV | Q7YY07 | Histone Deacetylase, Crypv | 1 | 0.28 | Binding ≤ 1μM |
| Q9XYC7_PLAFA | Q9XYC7 | Histone Deacetylase, Plafa | 1 | 0.28 | Binding ≤ 1μM |
| Q7YY76_CRYPV | Q7YY76 | Histone Deacetylase, Crypv | 1 | 0.28 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 0.1 | 0.31 | Binding ≤ 1μM |
| HDAC1_CHICK | P56517 | Histone Deacetylase 1, Chick | 4 | 0.26 | Binding ≤ 1μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC2_CHICK | P56519 | Histone Deacetylase 2, Chick | 4 | 0.26 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 0.12 | 0.31 | Binding ≤ 1μM |
| HDAC3_CHICK | P56520 | Histone Deacetylase 3, Chick | 4 | 0.26 | Binding ≤ 1μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 0.26 | 0.30 | Binding ≤ 1μM |
| HDAC4_CHICK | P83038 | Histone Deacetylase 4, Chick | 4 | 0.26 | Binding ≤ 1μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 1 | 0.28 | Binding ≤ 1μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 1 | 0.28 | Binding ≤ 1μM |
| NCOR2_HUMAN | Q9Y618 | Nuclear Receptor Corepressor 2, Human | 1.5 | 0.27 | Binding ≤ 1μM |
| TF_HUMAN | P13726 | Coagulation Factor III, Human | 150 | 0.21 | Binding ≤ 10μM |
| Q7YY76_CRYPV | Q7YY76 | Histone Deacetylase, Crypv | 1 | 0.28 | Binding ≤ 10μM |
| Q7YY07_CRYPV | Q7YY07 | Histone Deacetylase, Crypv | 1 | 0.28 | Binding ≤ 10μM |
| Q9XYC7_PLAFA | Q9XYC7 | Histone Deacetylase, Plafa | 1 | 0.28 | Binding ≤ 10μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 0.1 | 0.31 | Binding ≤ 10μM |
| HDAC1_CHICK | P56517 | Histone Deacetylase 1, Chick | 4 | 0.26 | Binding ≤ 10μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC2_CHICK | P56519 | Histone Deacetylase 2, Chick | 4 | 0.26 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 0.12 | 0.31 | Binding ≤ 10μM |
| HDAC3_CHICK | P56520 | Histone Deacetylase 3, Chick | 4 | 0.26 | Binding ≤ 10μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 0.26 | 0.30 | Binding ≤ 10μM |
| HDAC4_CHICK | P83038 | Histone Deacetylase 4, Chick | 4 | 0.26 | Binding ≤ 10μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 1 | 0.28 | Binding ≤ 10μM |
| HDAH_ALCSD | Q70I53 | Histone Deacetylase-like Amidohydrolase, Alcsd | 9200 | 0.16 | Binding ≤ 10μM |
| NCOR2_HUMAN | Q9Y618 | Nuclear Receptor Corepressor 2, Human | 1.5 | 0.27 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 290 | 0.20 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 33 | 0.23 | Functional ≤ 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 | |
| Extrinsic Pathway | |
| 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.