2-(4-butoxyphenyl)-N-methyleneacetamide - Compound Card

2-(4-butoxyphenyl)-N-methyleneacetamide

Select a section from the left sidebar

2-(4-butoxyphenyl)-N-methyleneacetamide

Structure
Zoomed Structure
  • Family: Plantae - Chenopodiaceae
  • Kingdom: Plantae
  • Class: Alkaloid
Canonical Smiles CCCCOc1ccc(cc1)CC(=O)N=C
InChI InChI=1S/C13H17NO2/c1-3-4-9-16-12-7-5-11(6-8-12)10-13(15)14-2/h5-8H,2-4,9-10H2,1H3
InChIKey WRHBNIYXPAJXMO-UHFFFAOYSA-N
Formula C13H17NO2
HBA 2
HBD 0
MW 219.28
Rotatable Bonds 6
TPSA 38.66
LogP 2.64
Number Rings 1
Number Aromatic Rings 1
Heavy Atom Count 16
Formal Charge 0
Fraction CSP3 0.38
Exact Mass 219.13
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Haloxylon scoparium Chenopodiaceae Plantae 1665493

Showing of synonyms

  • Lachkar N, Lamchouri F, et al. (2021). Chemical composition, phenolic content and antioxidant capacity of Haloxylon scoparium extracts. Evidence-based complementary and alternative medicine : eCAM, 2021, 2021, 9011168. [View] [PubMed]

No compound-protein relationship available.

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 219.28 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.54
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-3.99
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-3.05

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
0.49
Plasma Protein Binding
46.55
Steady State Volume of Distribution
-

Metabolism

Breast Cancer Resistance Protein
Non-Inhibitor
CYP 1A2 Inhibitor
Inhibitor
CYP 1A2 Substrate
Substrate
CYP 2C19 Inhibitor
Inhibitor
CYP 2C19 Substrate
Substrate
CYP 2C9 Inhibitor
Non-Inhibitor
CYP 2C9 Substrate
Substrate
CYP 2D6 Inhibitor
Non-Inhibitor
CYP 2D6 Substrate
Substrate
CYP 3A4 Inhibitor
Non-Inhibitor
CYP 3A4 Substrate
Substrate
OATP1B1
Non-Inhibitor
OATP1B3
Non-Inhibitor

Excretion

Clearance
8.04
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Toxic
Avian
Safe
Bee
Safe
Bioconcentration Factor
1.06
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Safe
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
1.25
Liver Injury II
Safe
hERG Blockers
Safe
Daphnia Maga
5.16
Micronucleos
Safe
NR-AhR
Safe
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Safe
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
4.63
Rat (Acute)
2.07
Rat (Chronic Oral)
1.99
Fathead Minnow
4.08
Respiratory Disease
Safe
Skin Sensitisation
Toxic
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
299.54
Hydration Free Energy
-7.73
Log(D) at pH=7.4
2.53
Log(P)
3.22
Log S
-3.37
Log(Vapor Pressure)
-3.99
Melting Point
55.3
pKa Acid
8.78
pKa Basic
6.31
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.9925
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.9918
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.9817
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 3 0.9790
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.9789
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 3 0.9764
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 3 0.9747
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.9728
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 3 0.9710
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.9703
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.9678
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 3 0.9647
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 3 0.9635
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 3 0.9629
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.9614
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 3 0.9586
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.9495
NPC intracellular cholesterol transporter 1 O15118 NPC1_HUMAN Homo sapiens 3 0.9481
Cytochrome P450 monooxygenase Q5YNS8 Q5YNS8_NOCFA Nocardia farcinica 3 0.9457
Steroid C26-monooxygenase P9WPP1 CP125_MYCTU Mycobacterium tuberculosis 3 0.9363
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.9299
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.9265
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial Q33862 Q33862_ASCSU Ascaris suum 3 0.9248
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9245
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.9242
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 3 0.9219
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.9203
Aldo-keto reductase family 1 member C1 Q04828 AK1C1_HUMAN Homo sapiens 3 0.9164
Biphenyl-2,3-diol 1,2-dioxygenase P17297 BPHC_PSES1 Pseudomonas sp 3 0.9112
Aromatase P11511 CP19A_HUMAN Homo sapiens 3 0.9067
Mycinamicin III 3''-O-methyltransferase Q49492 MYCF_MICGR Micromonospora griseorubida 2 0.9000
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8901
Biphenyl-2,3-diol 1,2-dioxygenase P17297 BPHC_PSES1 Pseudomonas sp 3 0.8883
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8880
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.8815
3-ketosteroid dehydrogenase Q9RA02 Q9RA02_RHOER Rhodococcus erythropolis 3 0.8748
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.8650
ADP-ribosylation factor 1 P84077 ARF1_HUMAN Homo sapiens 2 0.8483
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.8356
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.8353
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8347
Avidin P02701 AVID_CHICK Gallus gallus 3 0.8317
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8180
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.8173
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8158
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8149
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8144
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 3 0.8133
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8125
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8122
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8117
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.8117
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8114
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8106
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8104
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8103
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8103
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8096
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.8090
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 3 0.8088
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8079
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8078
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8075
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8069
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8067
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8065
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8065
Progesterone receptor P06401 PRGR_HUMAN Homo sapiens 3 0.8060
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8060
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8056
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8056
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8049
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8048
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8045
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8044
Androgen receptor P19091 ANDR_MOUSE Mus musculus 3 0.8043
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8041
Androgen receptor O97775 ANDR_PANTR Pan troglodytes 3 0.8041
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.8041
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8037
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.8036
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8034
Peroxidase C1A P00433 PER1A_ARMRU Armoracia rusticana 2 0.8031
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.8029
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.8028
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8025
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8023
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8018
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8012
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8008
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.8008
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.8005
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7998
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7991
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7989
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7975
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7975
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7973
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7973
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 2 0.7966
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7964
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7944
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7940
Mineralocorticoid receptor P08235 MCR_HUMAN Homo sapiens 3 0.7934
Sulfotransferase 2A1 Q06520 ST2A1_HUMAN Homo sapiens 3 0.7925
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7915
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7910
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 2 0.7907
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7885
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.7874
Retinol dehydratase Q26490 Q26490_SPOFR Spodoptera frugiperda 3 0.7873
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7872
Type IV / VI secretion system DotU domain-containing protein Q9KN50 Q9KN50_VIBCH Vibrio cholerae serotype O1 2 0.7870
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7857
Fatty acid-binding protein, adipocyte P15090 FABP4_HUMAN Homo sapiens 2 0.7850
Jasmonoyl--L-amino acid synthetase JAR1 Q9SKE2 JAR1_ARATH Arabidopsis thaliana 3 0.7828
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 2 0.7821
Sulfide-quinone reductase B7JBP8 SQRD_ACIF2 Acidithiobacillus ferrooxidans) 2 0.7815
Prostaglandin reductase 2 Q8N8N7 PTGR2_HUMAN Homo sapiens 2 0.7807
RNA-dependent RNA polymerase Q6A562 Q6A562_9VIRU Thosea asigna virus 2 0.7803
Lactoylglutathione lyase Q9CPU0 LGUL_MOUSE Mus musculus 2 0.7800
Tannase B3Y018 B3Y018_LACPN Lactiplantibacillus plantarum 3 0.7791
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7790
Ferric enterobactin-binding periplasmic protein FepB P0AEL6 FEPB_ECOLI Escherichia coli 3 0.7789
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7780
Chitinase Q54276 Q54276_SERMA Serratia marcescens 2 0.7778
Succinate dehydrogenase flavoprotein subunit P0AC41 SDHA_ECOLI Escherichia coli 2 0.7777
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7767
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7761
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7758
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7758
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 2 0.7749
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 2 0.7747
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 2 0.7745
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7744
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 2 0.7742
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 3 0.7738
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7735
Histidine kinase 4 Q9C5U0 AHK4_ARATH Arabidopsis thaliana 3 0.7731
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7721
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7718
Tetracycline repressor protein class H P51561 TETR8_PASMD Pasteurella multocida 2 0.7716
Lethal(3)malignant brain tumor-like protein 1 Q9Y468 LMBL1_HUMAN Homo sapiens 3 0.7713
Sulfotransferase 2B1 O00204 ST2B1_HUMAN Homo sapiens 2 0.7701
Phytohormone-binding protein CSBP A0A1S3THR8 PHBP_VIGRR Vigna radiata var. radiata 2 0.7690
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7689
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 2 0.7687
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7686
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7679
Tannase B3Y018 B3Y018_LACPN Lactiplantibacillus plantarum 3 0.7675
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7672
Glucocorticoid receptor P04150 GCR_HUMAN Homo sapiens 3 0.7661
Soluble acetylcholine receptor Q8WSF8 Q8WSF8_APLCA Aplysia californica 2 0.7660
Fumarate reductase subunit D P0A8Q3 FRDD_ECOLI Escherichia coli 2 0.7660
NADPH dehydrogenase 1 Q02899 OYE1_SACPS Saccharomyces pastorianus 2 0.7657
HTH-type transcriptional regulator EthR P9WMC1 ETHR_MYCTU Mycobacterium tuberculosis 3 0.7655
Nuclear receptor coactivator 2 Q15596 NCOA2_HUMAN Homo sapiens 3 0.7652
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7650
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 2 0.7648
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 2 0.7644
Chloramphenicol acetyltransferase P62577 CAT_ECOLX Escherichia coli 2 0.7642
Histone deacetylase-like amidohydrolase Q70I53 HDAH_ALCSD Alcaligenes sp.) 2 0.7638
cAMP-dependent protein kinase type I-alpha regulatory subunit P00514 KAP0_BOVIN Bos taurus 2 0.7638
Alcohol dehydrogenase 1C P00326 ADH1G_HUMAN Homo sapiens 2 0.7635
Succinate dehydrogenase flavoprotein subunit P0AC41 SDHA_ECOLI Escherichia coli 2 0.7631
Vitamin D3 dihydroxylase P18326 CPXE_STRGO Streptomyces griseolus 3 0.7615
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7615
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7609
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7601
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7600
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 2 0.7593
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7585
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7573
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7561
Nuclear receptor ROR-gamma P51449 RORG_HUMAN Homo sapiens 2 0.7558
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 2 0.7556
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7551
Cytokinin dehydrogenase 1 Q9T0N8 CKX1_MAIZE Zea mays 3 0.7547
Chorismate mutase AroH P19080 AROH_BACSU Bacillus subtilis 2 0.7542
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7542
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7527
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7524
Protein LlR18A P52778 L18A_LUPLU Lupinus luteus 2 0.7522
Cytochrome P450 S6BVH1 S6BVH1_RHOER Rhodococcus erythropolis 2 0.7521
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7513
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7512
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7510
Nuclear receptor subfamily 4immunitygroup A member 1 P22736 NR4A1_HUMAN Homo sapiens 2 0.7506
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7504
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7499
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7498
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7490
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q8N5Z0 AADAT_HUMAN Homo sapiens 2 0.7489
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7488
Ceramide transfer protein Q9Y5P4 CERT_HUMAN Homo sapiens 2 0.7488
Nicotinamide phosphoribosyltransferase P43490 NAMPT_HUMAN Homo sapiens 2 0.7488
Vitamin D3 dihydroxylase P18326 CPXE_STRGO Streptomyces griseolus 3 0.7487
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7473
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7468
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7467
Flavoredoxin Q72HI0 Q72HI0_THET2 Thermus thermophilus 2 0.7464
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7461
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7456
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7454
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7452
Phenazine biosynthesis protein A/B Q396C9 Q396C9_BURL3 Burkholderia lata 2 0.7452
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 2 0.7451
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7450
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 2 0.7448
2-phospho-L-lactate transferase Q8PVT6 COFD_METMA Methanosarcina mazei 2 0.7441
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 2 0.7439
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 2 0.7439
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7439
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7435
Estrogen receptor P03372 ESR1_HUMAN Homo sapiens 2 0.7434
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7421
Polyprotein Q80J95 Q80J95_9CALI Murine norovirus 1 2 0.7421
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 2 0.7414
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7411
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 2 0.7409
Fatty acid-binding protein, liver P80226 FABPL_CHICK Gallus gallus 2 0.7408
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7407
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7404
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 2 0.7401
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7394
D-aminoacyl-tRNA deacylase Q8IIS0 DTD_PLAF7 Plasmodium falciparum 2 0.7393
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7391
Metallo-beta-lactamase type 2 P26918 BLAB_AERHY Aeromonas hydrophila 2 0.7382
Cellular retinoic acid-binding protein 2 P29373 RABP2_HUMAN Homo sapiens 2 0.7380
Ephrin type-B receptor 2 P54763 EPHB2_MOUSE Mus musculus 2 0.7377
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7375
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7369
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7366
Serine/threonine-protein kinase SKY1 Q03656 SKY1_YEAST Saccharomyces cerevisiae 2 0.7362
Prostaglandin F2a synthase Q8I6L9 Q8I6L9_TRYCR Trypanosoma cruzi 2 0.7360
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7356
Biflaviolin synthase CYP158A1 Q9KZF5 C1581_STRCO Streptomyces coelicolor / M145) 2 0.7354
3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase O33877 FABA_PSEAE Pseudomonas aeruginosa 2 0.7354
Ribosome-inactivating protein 3 P25891 RIP3_MAIZE Zea mays 2 0.7353
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7351
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 2 0.7347
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7345
Polyunsaturated fatty acid lipoxygenase ALOX15 P12530 LOX15_RABIT Oryctolagus cuniculus 2 0.7338
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7337
MAP kinase-activated protein kinase 2 P49137 MAPK2_HUMAN Homo sapiens 3 0.7336
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7336
NAD-dependent protein deacetylase Q9WYW0 NPD_THEMA Thermotoga maritima 2 0.7336
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7332
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7331
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7330
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7329
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7324
L-lactate dehydrogenase A chain P13491 LDHA_RABIT Oryctolagus cuniculus 2 0.7323
Catalase-peroxidase Q3JNW6 KATG_BURP1 Burkholderia pseudomallei 2 0.7321
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7320
Pantothenate synthetase P9WIL4 PANC_MYCTO Mycobacterium tuberculosis 2 0.7320
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7318
Steroid 17-alpha-hydroxylase/17,20 lyase P05093 CP17A_HUMAN Homo sapiens 2 0.7316
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7313
Uncharacterized protein YML079W Q03629 YMH9_YEAST Saccharomyces cerevisiae 2 0.7309
Acyl-coenzyme A synthetase ACSM2A, mitochondrial Q08AH3 ACS2A_HUMAN Homo sapiens 2 0.7306
Abscisic acid receptor PYL2 O80992 PYL2_ARATH Arabidopsis thaliana 2 0.7302
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7302
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 2 0.7299
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 2 0.7297
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 2 0.7295
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7291
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 2 0.7287
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase P47229 BPHD_PARXL Paraburkholderia xenovorans 2 0.7285
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 2 0.7279
ADP-ribosylation factor 1 P84080 ARF1_BOVIN Bos taurus 2 0.7279
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 2 0.7278
L-lactate dehydrogenase (cytochrome) P00175 CYB2_YEAST Saccharomyces cerevisiae 2 0.7276
Acetylcholinesterase P22303 ACES_HUMAN Homo sapiens 2 0.7275
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7270
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7269
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 2 0.7268
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 2 0.7264
D-alanyl-D-alanine carboxypeptidase P15555 DAC_STRSR Streptomyces sp 2 0.7263
Pyridoxal kinase O00764 PDXK_HUMAN Homo sapiens 2 0.7261
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 2 0.7258
Carnitine O-acetyltransferase P47934 CACP_MOUSE Mus musculus 2 0.7257
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7252
Biotin carboxylase P43873 ACCC_HAEIN Haemophilus influenzae 2 0.7252
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 2 0.7252
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7249
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 2 0.7245
Alpha/beta hydrolase fold A5VAT9 A5VAT9_SPHWW Sphingomonas wittichii 2 0.7242
Nuclear receptor subfamily 1 group I member 3 O35627 NR1I3_MOUSE Mus musculus 2 0.7240
Methionine aminopeptidase 1 P53582 MAP11_HUMAN Homo sapiens 2 0.7237
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase P19992 HSD_STREX Streptomyces exfoliatus 2 0.7236
Sex hormone-binding globulin P04278 SHBG_HUMAN Homo sapiens 2 0.7234
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7230
cGMP-dependent protein kinase 1 Q13976 KGP1_HUMAN Homo sapiens 2 0.7230
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7227
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7224
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7223
7,8-dihydroneopterin aldolase J7VEZ6 J7VEZ6_BACCE Bacillus cereus BAG3X2-1 2 0.7221
Aminoglycoside N(3)-acetyltransferase A0A3P1UCA6 Q81P86_BACAN Bacillus anthracis 2 0.7220
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 2 0.7214
Purine nucleoside phosphorylase DeoD-type O34925 DEOD_BACSU Bacillus subtilis 2 0.7214
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 DXR_ECOLI Escherichia coli 2 0.7210
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7205
Inosine-5'-monophosphate dehydrogenase P50097 IMDH_TRIFO Tritrichomonas foetus 2 0.7199
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 2 0.7198
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 2 0.7197
Mitogen-activated protein kinase kinase kinase 5 Q99683 M3K5_HUMAN Homo sapiens 2 0.7196
Trichothecene 15-O-acetyltransferase TRI3 Q9C1B7 TRI3_FUSSP Fusarium sporotrichioides 2 0.7195
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7194
RNA polymerase sigma factor SigA Q5SKW1 Q5SKW1_THET8 Thermus thermophilus 2 0.7190
Integrin alpha-L P20701 ITAL_HUMAN Homo sapiens 2 0.7187
Avidin P02701 AVID_CHICK Gallus gallus 2 0.7182
Neutrophil gelatinase-associated lipocalin P80188 NGAL_HUMAN Homo sapiens 2 0.7182
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7180
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7170
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 2 0.7169
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 2 0.7169
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 2 0.7161
Deacetoxycephalosporin C synthase P18548 CEFE_STRCL Streptomyces clavuligerus 2 0.7157
Protein mono-ADP-ribosyltransferase PARP3 Q9Y6F1 PARP3_HUMAN Homo sapiens 2 0.7157
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 2 0.7154
Proline iminopeptidase O32449 PIP_SERMA Serratia marcescens 2 0.7154
Proline iminopeptidase O32449 PIP_SERMA Serratia marcescens 2 0.7151
3-alpha-hydroxysteroid dehydrogenase P23457 DIDH_RAT Rattus norvegicus 2 0.7146
Cyclic nucleotide-binding domain-containing protein E0RR11 E0RR11_SPITD Spirochaeta thermophila 2 0.7145
Chloramphenicol 3-O phosphotransferase Q56148 CPT_STRVP Streptomyces venezuelae 2 0.7144
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase P0AF12 MTNN_ECOLI Escherichia coli 2 0.7138
CCA-adding enzyme O28126 CCA_ARCFU Archaeoglobus fulgidus 2 0.7137
Prenyltransferase Q4R2T2 Q4R2T2_STRC1 Streptomyces sp 2 0.7135
Proline iminopeptidase O32449 PIP_SERMA Serratia marcescens 2 0.7127
Pentaerythritol tetranitrate reductase P71278 P71278_ENTCL Enterobacter cloacae 2 0.7121
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7108
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 2 0.7104
Purine nucleoside phosphorylase DeoD-type Q5EEL8 DEOD_BACCE Bacillus cereus 2 0.7103
Methylketone synthase I E0YCS2 E0YCS2_SOLHA Solanum habrochaites 2 0.7102
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 2 0.7097
Inosine-5'-monophosphate dehydrogenase P50097 IMDH_TRIFO Tritrichomonas foetus 2 0.7096
Serine/threonine-protein kinase toxin HipA P23874 HIPA_ECOLI Escherichia coli 2 0.7094
Norsolorinic acid synthase Q12053 AFLC_ASPPU Aspergillus parasiticus 2 0.7092
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7090
Odorant binding protein ASP1 Q8WRW5 Q8WRW5_APIME Apis mellifera 2 0.7087
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 2 0.7084
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 2 0.7080
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7076
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7076
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 2 0.7073
Branched-chain-amino-acid aminotransferase, mitochondrial O15382 BCAT2_HUMAN Homo sapiens 2 0.7070
Cyclic nucleotide-gated potassium channel mll3241 Q98GN8 CNGK1_RHILO Mesorhizobium japonicum) 2 0.7070
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 2 0.7069
Cytochrome P450 Q93H81 Q93H81_STRAX Streptomyces avermitilis 2 0.7068
Glucocorticoid receptor P04150 GCR_HUMAN Homo sapiens 3 0.7067
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 2 0.7063
Biflaviolin synthase CYP158A2 Q9FCA6 C1582_STRCO Streptomyces coelicolor / M145) 2 0.7060
TamL D3Y1I2 D3Y1I2_9ACTN Streptomyces sp. 307-9 2 0.7060
Purine nucleoside phosphorylase DeoD-type P0ABP9 DEOD_ECO57 Escherichia coli O157:H7 2 0.7059
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 2 0.7057
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 2 0.7056
Sulfotransferase 1A1 P50225 ST1A1_HUMAN Homo sapiens 2 0.7055
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 2 0.7053
Gastrotropin P10289 FABP6_PIG Sus scrofa 3 0.7045
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7042
Bis(5'-adenosyl)-triphosphatase P49789 FHIT_HUMAN Homo sapiens 2 0.7037
Myosin heavy chain kinase A P42527 MHCKA_DICDI Dictyostelium discoideum 2 0.7037
Proton-gated ion channel Q7NDN8 GLIC_GLOVI Gloeobacter violaceus 2 0.7036
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 2 0.7035
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 2 0.7026
Albumin P02768 ALBU_HUMAN Homo sapiens 2 0.7023
Protein mono-ADP-ribosyltransferase PARP10 Q53GL7 PAR10_HUMAN Homo sapiens 2 0.7023
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 2 0.7022
Peptide deformylase 1B, chloroplastic/mitochondrial Q9FUZ2 DEF1B_ARATH Arabidopsis thaliana 2 0.7019
Unconventional myosin-Va Q02440 MYO5A_CHICK Gallus gallus 2 0.7017
Biflaviolin synthase CYP158A2 Q9FCA6 C1582_STRCO Streptomyces coelicolor / M145) 2 0.7012
L-methionine gamma-lyase P13254 MEGL_PSEPU Pseudomonas putida 3 0.7008

Download SDF